data_1wfe_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 1wfe _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 ' 26' ' ' TYR . . . . . 0.526 ' CD2' ' HB3' ' A' ' 40' ' ' ALA . 36.5 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.897 0.38 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.6 p -85.11 146.17 27.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.9 t -69.29 141.23 54.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.812 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.0 m -128.15 170.39 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -150.5 159.06 44.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -56.87 -46.47 81.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.8 m -88.82 170.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.526 ' HB3' ' CD2' ' A' ' 26' ' ' TYR . . . -118.33 95.38 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.4 t -74.16 101.92 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 37.9 mm -96.32 143.18 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 42.1 t -92.44 124.91 57.91 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.519 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.71 6.18 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.362 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.542 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 18.7 m-85 -111.03 -63.24 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.3 p -90.78 -7.73 51.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 37.9 mt-10 55.46 50.27 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 42.8 mttm -128.99 155.71 44.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 26' ' ' TYR . 14.3 t30 -90.93 133.38 35.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 44.4 m-85 -138.61 173.63 11.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' HIS . 17.6 p -93.13 152.01 19.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -43.74 -39.42 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -65.0 -33.71 76.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 51' ' ' CYS . 39.4 m170 -119.97 35.92 4.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -74.97 -35.9 62.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.436 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 2.5 m170 -59.58 160.55 6.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.542 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 37.6 mt-30 -64.49 -75.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.1 t -49.99 -37.26 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.5 -50.89 29.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.513 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.5 p-80 -93.67 18.55 9.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.8 t70 55.84 52.44 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.2 t -44.28 124.54 4.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -67.4 -30.23 69.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 16.5 mmmt -66.53 -44.22 83.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LYS . 15.6 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.502 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 48.3 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.887 0.375 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.2 p -85.69 130.12 34.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.3 t -43.19 166.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 3.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.878 0.371 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.453 ' C ' ' CD ' ' A' ' 37' ' ' GLU . 17.3 m -118.58 162.27 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.114 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.453 ' CD ' ' C ' ' A' ' 36' ' ' VAL . 12.1 mp0 -145.91 145.52 30.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 mt -48.12 -47.87 34.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -97.28 178.7 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.502 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -119.45 98.05 5.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.3 t -75.85 95.86 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.3 mm -87.98 142.12 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 53.9 t -95.11 125.81 49.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.617 0.723 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.526 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.2 Cg_endo -69.72 5.89 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.535 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 17.9 m-85 -110.68 -60.91 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.1 p -93.47 -9.77 37.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 47.7 mt-10 56.95 43.84 23.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.551 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 25.9 mttp -122.16 152.96 39.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.419 ' O ' ' CB ' ' A' ' 29' ' ' SER . 19.8 t30 -87.71 128.57 35.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 48.4 m-85 -132.96 172.37 12.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' HIS . 24.7 p -93.3 149.45 21.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.5 mm? -37.33 -40.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -62.55 -42.59 99.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 51' ' ' CYS . 41.2 m170 -108.11 36.85 2.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -75.29 -39.99 59.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.42 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 20.2 m170 -63.72 160.67 16.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.535 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 38.7 mt-30 -64.34 -69.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.2 t -49.05 -40.95 33.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.42 ' CG ' ' HB2' ' A' ' 56' ' ' HIS . 11.1 m-20 -47.55 -52.23 18.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.486 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.0 p-80 -95.07 26.26 3.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 40.89 54.27 3.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.6 t -43.71 116.21 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -61.68 -30.25 70.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 27.9 mmmt -57.8 -44.31 86.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.3 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.918 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.471 ' CD2' ' HB1' ' A' ' 40' ' ' ALA . 90.7 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.829 0.347 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.5 p -81.25 145.94 30.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.6 t -73.98 143.31 45.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 49' ' ' ASN . 4.5 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.0 m -137.55 168.36 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -155.73 154.03 30.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.0 mt -57.01 -39.99 75.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.4 m -102.09 167.53 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HB1' ' CD2' ' A' ' 26' ' ' TYR . . . -107.49 93.34 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.2 t -72.6 96.96 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.1 mm -91.47 137.54 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 45.9 t -87.33 123.78 69.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.727 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.513 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.4 Cg_endo -69.82 5.86 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.318 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.625 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 21.7 m-85 -110.33 -60.33 1.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.3 p -94.57 -6.05 44.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 26.3 mt-10 55.47 46.4 23.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 22.3 mttp -124.22 153.01 42.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 29' ' ' SER . 32.4 t30 -89.77 130.15 36.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 57.5 m-85 -135.34 174.73 10.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' HIS . 27.8 p -92.96 150.68 20.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -38.4 -39.95 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -64.87 -40.72 95.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' CYS . 62.5 m170 -106.83 31.27 5.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -70.41 -35.38 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.416 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 63.9 m80 -67.17 166.65 13.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.625 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 41.7 mt-30 -73.29 -71.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -47.55 -39.43 16.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -47.31 -52.39 16.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.497 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 4.0 p-80 -94.44 21.96 6.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 51.34 51.23 17.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.8 t -45.6 121.71 3.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 12.8 pt-20 -64.96 -43.5 92.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.425 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.9 mmmp? -47.33 -37.86 11.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.1 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.853 0.359 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.0 m -76.68 129.14 35.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -48.95 167.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.415 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 26.6 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.495 ' C ' ' CD ' ' A' ' 37' ' ' GLU . 31.2 m -115.22 159.78 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.495 ' CD ' ' C ' ' A' ' 36' ' ' VAL . 13.2 mp0 -140.13 152.51 46.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 mt -50.52 -45.06 56.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.8 m -102.24 175.78 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.57 109.39 16.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.071 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.4 t -86.19 95.2 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.464 HD11 ' CA ' ' A' ' 49' ' ' ASN . 25.8 mm -84.76 143.93 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 43.0 t -98.63 126.41 39.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.507 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.4 Cg_endo -69.76 5.61 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.626 2.218 . . . . 0.0 112.358 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.552 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 16.9 m-85 -110.69 -63.23 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.8 p -90.82 -6.54 54.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 2.9 mm-40 54.53 46.8 24.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 51.6 mttm -127.22 150.47 49.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.464 ' CA ' HD11 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -89.78 128.8 36.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 33.0 m-85 -129.93 171.95 12.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 54' ' ' HIS . 24.8 p -87.53 146.77 25.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.5 mm? -35.67 -41.45 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -61.89 -44.66 96.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 51' ' ' CYS . 42.8 m170 -106.44 33.92 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 56' ' ' HIS . 6.7 ptm180 -72.57 -44.89 61.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.453 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 7.2 t-80 -57.45 165.35 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.552 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 34.9 mt-30 -68.23 -74.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 t -45.51 -40.65 8.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -46.45 -51.94 14.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.486 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 2.8 p-80 -94.6 27.27 3.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 40.5 53.71 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.2 t -44.44 119.05 1.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -62.22 -37.6 85.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 18.9 mmmt -53.64 -42.49 67.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.505 ' CD2' ' HB1' ' A' ' 40' ' ' ALA . 80.8 m-85 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.889 0.375 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -67.31 141.77 57.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.5 t -71.43 141.06 50.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.547 ' OG ' ' CE2' ' A' ' 50' ' ' PHE . 60.8 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.881 0.372 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.2 m -127.17 168.88 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -145.96 157.11 43.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mt -56.0 -41.89 75.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.8 m -94.99 168.2 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.505 ' HB1' ' CD2' ' A' ' 26' ' ' TYR . . . -114.77 104.03 11.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.4 t -83.02 95.1 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 43' ' ' CYS . 34.0 mm -87.8 143.16 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.418 ' N ' HG22 ' A' ' 42' ' ' ILE . 49.7 t -96.5 125.99 45.21 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.644 0.735 . . . . 0.0 110.895 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.523 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.0 Cg_endo -69.8 6.17 1.43 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.647 2.231 . . . . 0.0 112.311 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.536 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 19.8 m-85 -111.02 -63.6 1.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.9 p -90.44 -7.79 52.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 35.9 mt-10 55.16 45.33 26.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 50.5 mttm -123.36 158.73 30.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.469 ' ND2' ' HB3' ' A' ' 26' ' ' TYR . 6.5 t30 -95.18 124.88 39.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 26.5 m-85 -127.83 173.95 9.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 54' ' ' HIS . 18.6 p -94.74 147.54 23.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.832 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.5 mm? -36.35 -40.71 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -62.11 -43.34 99.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 51' ' ' CYS . 25.2 m170 -111.7 40.74 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -77.41 -42.79 34.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.404 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 94.4 m-70 -58.14 162.58 3.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.536 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 36.2 mt-30 -64.92 -76.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.0 m -45.46 -38.71 6.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.404 ' CG ' ' HB2' ' A' ' 56' ' ' HIS . 8.3 m-20 -48.67 -48.96 39.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.475 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 2.7 p-80 -98.54 33.17 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 39.94 48.23 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.6 t -43.52 110.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -55.32 -48.02 74.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 29.1 mmmt -40.06 -45.11 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.3 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.898 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.524 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 83.6 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.903 0.382 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 96.0 p -74.86 127.33 32.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 38.7 t -50.85 136.94 21.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.889 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.87 0.367 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.3 m -115.27 176.64 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -151.9 151.53 31.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.55 -41.63 63.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -105.81 -179.56 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.127 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.524 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -116.63 113.09 22.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.0 t -91.94 89.24 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.473 HD12 ' CA ' ' A' ' 49' ' ' ASN . 26.7 mm -84.29 140.38 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.1 t -93.4 125.19 55.09 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.63 0.729 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.495 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.7 Cg_endo -69.77 5.27 1.77 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.585 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 15.4 m-85 -108.9 -62.14 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.3 p -92.11 -7.67 47.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 57.42 49.22 13.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 28.4 mttp -132.71 152.71 51.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.473 ' CA ' HD12 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -92.11 132.92 36.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 41.5 m-85 -134.3 171.62 14.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 54' ' ' HIS . 20.3 p -86.01 149.4 25.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -41.63 -38.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -64.61 -37.41 87.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 51' ' ' CYS . 38.9 m170 -114.78 29.84 7.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -66.2 -42.49 88.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -56.3 168.37 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.585 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 39.6 mt-30 -73.36 -73.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.1 m -46.43 -36.9 6.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -49.46 -52.25 30.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.487 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.2 p-80 -93.8 17.88 11.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 55.6 51.5 12.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.6 t -44.29 100.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -46.28 -33.28 3.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.408 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.6 mmmp? -59.25 -44.44 92.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.417 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 70.4 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.7 p -93.7 129.08 40.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.0 t -52.07 138.32 25.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.83 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.82 0.343 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -127.24 167.45 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -146.29 157.41 43.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -49.54 -44.11 46.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.2 m -108.82 -178.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.417 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -120.43 110.56 16.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.2 t -77.91 90.16 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.436 HD12 ' CA ' ' A' ' 49' ' ' ASN . 32.1 mm -78.83 134.13 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 41.9 t -85.95 125.76 67.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.601 0.715 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.2 Cg_endo -69.68 6.26 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.559 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 22.2 m-85 -111.82 -60.61 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.976 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.3 p -94.91 -4.81 46.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 5.8 mm-40 55.24 48.44 19.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.528 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 36.1 mttm -127.26 149.25 50.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.436 ' CA ' HD12 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -88.0 132.34 34.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.528 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 52.6 m-85 -136.26 175.97 9.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 54' ' ' HIS . 17.5 p -92.64 152.36 19.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -45.36 -38.03 5.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -66.85 -31.3 71.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' CYS . 43.5 m170 -122.44 34.91 5.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -75.23 -36.98 61.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.421 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 4.6 m170 -57.88 163.62 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.559 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 37.6 mt-30 -68.34 -73.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.4 m -49.97 -37.78 33.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.88 -48.2 51.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.547 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 2.2 p-80 -95.47 20.56 9.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.7 t70 50.97 54.31 11.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.6 t -47.66 126.87 10.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.9 pm0 -73.94 -23.55 59.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.419 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.9 mmmp? -67.65 -41.72 83.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.2 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.906 0.384 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.3 p -78.84 133.17 37.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.7 t -61.22 140.4 57.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.829 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.9 m -128.68 169.96 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -145.47 155.04 42.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mt -55.3 -39.26 69.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.6 m -103.13 171.06 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.48 112.38 22.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.5 t -89.5 90.79 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.7 mm -82.08 139.66 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 46.3 t -92.25 125.27 57.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.522 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.5 Cg_endo -69.71 6.37 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.531 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 24.7 m-85 -111.81 -61.54 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.8 p -93.52 -5.05 49.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 6.5 mt-10 54.84 45.63 26.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 45.2 mttm -123.65 153.54 40.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.89 131.0 39.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 37.9 m-85 -132.45 174.97 9.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 54' ' ' HIS . 27.7 p -90.97 146.13 24.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.2 mm? -36.17 -39.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HG3' ' CD2' ' A' ' 54' ' ' HIS . 8.0 tpm_? -63.28 -44.48 94.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' CYS . 30.2 m170 -107.25 34.31 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 56' ' ' HIS . 23.5 ptt180 -74.59 -42.12 59.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.4 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 57.0 m-70 -55.34 167.44 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.531 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 19.3 mt-30 -75.76 -49.18 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.2 t -82.56 38.7 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -133.74 -34.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.458 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 2.4 p-80 -104.31 23.49 13.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.7 t70 50.14 50.76 18.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.0 t -47.56 115.15 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 64' ' ' LYS . 23.3 pm0 -63.88 -28.92 70.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.424 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 48.6 mmtt -68.71 -44.57 73.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.505 ' CG ' ' HB3' ' A' ' 40' ' ' ALA . 75.7 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.869 0.366 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.4 m -89.47 133.45 34.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.2 t -57.03 136.96 56.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.839 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.813 0.34 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.6 m -119.87 171.74 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -152.22 147.25 26.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -48.76 -43.04 37.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.44 167.17 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.505 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . . . -109.88 109.01 19.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.069 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.4 t -83.17 91.66 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.477 HD12 ' CA ' ' A' ' 49' ' ' ASN . 33.9 mm -83.99 141.41 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.449 ' N ' HG22 ' A' ' 42' ' ' ILE . 46.9 t -90.17 126.5 56.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.587 0.708 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.541 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.0 Cg_endo -69.77 6.64 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.639 2.226 . . . . 0.0 112.388 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.557 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 22.3 m-85 -112.56 -63.75 1.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.2 p -89.95 -12.02 40.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 22.0 mt-10 61.3 50.35 4.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 24.2 mttm -128.8 144.94 51.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.477 ' CA ' HD12 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -84.8 131.27 34.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.829 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 61.5 m-85 -135.0 175.89 9.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 54' ' ' HIS . 19.2 p -93.22 146.12 23.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -37.98 -41.49 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -61.98 -40.03 94.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 51' ' ' CYS . 34.8 m170 -113.81 38.16 3.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -78.83 -37.12 41.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.493 ' CD2' ' H ' ' A' ' 57' ' ' GLN . 9.2 t-160 -53.3 167.78 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 17.5 mt-30 -78.81 -47.38 16.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.4 m -81.06 18.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.83 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.0 -38.27 5.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -104.43 29.47 6.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.9 t70 45.49 48.71 10.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 10.6 t -41.38 130.37 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -78.05 -23.97 47.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -87.38 26.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.0 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.456 ' CG ' ' HB1' ' A' ' 40' ' ' ALA . 87.2 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.88 0.372 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.9 p -88.82 130.04 35.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.0 t -53.53 144.43 17.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.461 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 6.7 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.894 0.378 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 m -135.25 163.57 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -150.24 151.62 33.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.35 -32.1 70.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.2 m -105.54 163.9 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB1' ' CG ' ' A' ' 26' ' ' TYR . . . -110.46 103.8 12.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.6 t -84.39 88.19 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.471 HD12 ' CA ' ' A' ' 49' ' ' ASN . 16.3 mm -80.65 138.18 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.6 t -91.13 124.43 61.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.624 0.725 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.484 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.9 Cg_endo -69.82 5.44 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.583 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 21.7 m-85 -109.23 -61.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.7 p -92.34 -8.97 43.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 60.03 44.92 12.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 66.1 mttt -126.83 153.01 46.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.471 ' CA ' HD12 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -94.76 130.33 41.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 24.1 m-85 -132.31 170.32 15.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 54' ' ' HIS . 25.1 p -82.14 146.87 29.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.6 mm? -35.85 -40.6 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -62.87 -44.76 95.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.505 ' N ' ' O ' ' A' ' 51' ' ' CYS . 55.4 m170 -103.92 29.05 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 56' ' ' HIS . 5.7 ptm180 -68.06 -43.8 77.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.433 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 4.5 m-70 -60.31 166.54 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.583 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 35.6 mt-30 -70.14 -74.4 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.8 m -45.24 -36.66 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.62 -52.26 49.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.469 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.1 p-80 -94.5 23.53 5.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 45.18 53.66 7.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 10.5 t -45.12 111.49 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -56.46 -36.64 69.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -52.27 -46.28 65.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.3 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.923 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.459 ' CG ' ' HB3' ' A' ' 40' ' ' ALA . 81.1 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.891 0.377 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.8 m -68.8 131.04 44.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.2 t -57.21 144.36 35.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.574 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 5.9 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.873 0.368 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.87 165.96 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -152.0 154.53 36.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -56.45 -42.66 78.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.4 m -92.9 176.69 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.459 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . . . -122.01 103.78 9.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.446 ' CG1' ' HB2' ' A' ' 55' ' ' ARG . 84.9 t -85.71 94.72 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.455 HD11 ' CA ' ' A' ' 49' ' ' ASN . 41.7 mm -87.93 146.68 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 48.5 t -98.43 127.21 36.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.718 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.525 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.9 Cg_endo -69.73 6.37 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.647 2.231 . . . . 0.0 112.401 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.565 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 21.2 m-85 -112.26 -64.0 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.923 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.1 p -89.48 -8.0 53.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 33.8 mt-10 55.5 48.8 18.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 66.1 mttt -128.82 151.71 49.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.455 ' CA ' HD11 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -91.9 128.42 37.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 29' ' ' SER . 26.9 m-85 -129.79 168.05 17.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 54' ' ' HIS . 22.2 p -80.6 146.77 31.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.4 mm? -37.0 -39.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -63.02 -42.73 99.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.506 ' N ' ' O ' ' A' ' 51' ' ' CYS . 41.7 m170 -108.25 33.72 3.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.446 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 31.2 ptt-85 -75.38 -36.41 60.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -62.75 169.66 3.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.565 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 13.0 mt-30 -77.92 -48.06 17.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 p -80.69 39.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -134.26 -38.93 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.409 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 2.3 p-80 -100.74 29.78 4.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 p30 43.25 46.83 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.7 t -44.24 118.68 1.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 8.3 pt-20 -67.03 -38.52 86.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 40.9 mmtm -57.01 -45.13 83.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.409 ' CE1' ' HB1' ' A' ' 40' ' ' ALA . 52.2 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.871 0.367 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m -84.97 131.17 34.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 t -49.96 142.18 9.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.814 -179.807 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.8 m -117.15 177.9 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -154.02 158.26 40.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 mt -59.39 -44.3 92.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.5 m -102.58 174.6 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.409 ' HB1' ' CE1' ' A' ' 26' ' ' TYR . . . -113.76 111.66 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.6 t -87.79 89.87 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.408 HD12 ' CA ' ' A' ' 49' ' ' ASN . 33.5 mm -81.85 141.21 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 48.5 t -94.02 125.88 51.14 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.666 0.746 . . . . 0.0 110.832 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.517 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.77 5.81 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.633 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 23.2 m-85 -111.33 -61.95 1.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.6 p -92.36 -5.54 51.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 41.9 mt-10 53.99 49.24 19.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.513 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 48.5 mttm -129.78 153.22 48.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.408 ' CA ' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -91.24 133.9 35.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.513 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 39.3 m-85 -136.25 170.77 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' HIS . 18.9 p -86.29 147.17 26.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.1 mm? -37.63 -42.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -61.31 -40.68 95.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' CYS . 41.8 m170 -111.58 36.82 3.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.6 ptt-85 -74.16 -45.38 48.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.445 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 6.4 t-80 -55.07 165.74 0.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.806 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.633 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 39.0 mt-30 -68.13 -73.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.2 m -48.56 -37.71 18.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -47.91 -51.55 22.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.499 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.8 p-80 -94.34 21.63 6.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 50.6 53.47 12.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.1 t -41.76 121.79 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.4 pm0 -67.26 -25.62 66.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' LEU . 27.7 mmmt -68.45 -45.48 72.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' LYS . 27.3 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.472 ' CG ' ' HB3' ' A' ' 40' ' ' ALA . 31.3 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.909 0.385 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.1 p -74.87 134.68 41.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.8 t -56.41 134.32 53.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.833 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.849 0.357 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -126.74 172.36 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -150.77 160.72 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mt -65.6 -40.47 92.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.4 m -96.62 156.6 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.472 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . . . -104.86 107.0 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.0 t -88.9 93.48 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.464 HD11 ' CB ' ' A' ' 49' ' ' ASN . 31.0 mm -86.07 144.39 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 50.2 t -96.94 125.76 45.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.645 0.736 . . . . 0.0 110.879 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.486 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.75 4.88 1.93 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.746 2.297 . . . . 0.0 112.339 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.543 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 11.8 m-85 -108.7 -61.53 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.2 p -92.78 -8.44 43.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 13.4 mt-10 57.76 47.91 14.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 36.0 mttm -130.49 153.65 48.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.464 ' CB ' HD11 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -91.11 129.81 37.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 33.8 m-85 -132.19 170.79 14.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' HIS . 16.5 p -86.99 151.12 23.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -43.46 -40.09 3.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -64.19 -33.74 76.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 51' ' ' CYS . 44.5 m170 -119.11 33.72 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -71.59 -41.95 68.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.446 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 41.7 m170 -56.36 166.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.543 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 31.1 mt-30 -70.21 -74.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.5 p -46.11 -41.03 11.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -47.04 -51.37 17.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.482 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 2.7 p-80 -95.49 25.78 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.6 t0 45.59 51.17 10.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.0 t -44.65 102.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -44.81 -39.97 5.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 29.3 mmmt -49.47 -43.45 45.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 64.0 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.52 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 87.6 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.86 0.362 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.7 m -89.23 131.18 35.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.1 t -61.05 146.6 46.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.793 -179.803 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.873 0.368 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.6 m -126.45 164.26 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -145.23 156.42 43.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.86 -43.29 65.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -93.13 170.95 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.52 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -121.33 92.27 3.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -69.19 101.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 44.8 mm -96.42 137.63 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 51.3 t -86.06 123.55 71.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.616 0.722 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.505 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.8 Cg_endo -69.78 6.24 1.39 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.337 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.549 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 15.7 m-85 -110.81 -59.0 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.959 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.2 p -96.34 -10.03 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 32.3 mt-10 58.29 48.3 12.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 27.1 mttm -123.22 147.16 47.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.467 ' ND2' ' HB3' ' A' ' 26' ' ' TYR . 29.1 t30 -86.27 129.16 34.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 51.5 m-85 -134.25 176.43 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 54' ' ' HIS . 29.9 p -94.46 148.0 22.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.2 mm? -35.26 -40.45 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -63.2 -46.41 87.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' CYS . 25.6 m170 -103.02 31.87 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 -73.4 -36.58 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.501 ' N ' ' OD2' ' A' ' 59' ' ' ASP . 39.2 m170 -56.7 -174.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.549 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 13.0 mt-30 -96.98 -48.24 5.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 t -83.48 36.78 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.501 ' OD2' ' N ' ' A' ' 56' ' ' HIS . 46.8 p-10 -127.95 -35.3 2.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.475 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 5.2 p-80 -104.78 23.07 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 61' ' ' ASP . 15.5 t0 52.02 47.95 23.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 13.1 t -44.15 122.74 3.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.06 -35.54 81.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.5 mmmp? -62.03 -42.89 99.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.917 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.478 ' CG ' ' HB3' ' A' ' 40' ' ' ALA . 87.2 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.9 0.381 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.4 m -79.84 134.74 36.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.3 t -52.95 157.64 1.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.563 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 44.2 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.1 t0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.881 0.372 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.2 m -148.05 165.61 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -155.5 150.23 26.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.1 -40.32 70.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.3 m -105.33 -178.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.478 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . . . -116.87 94.04 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.1 t -76.18 96.13 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.6 mm -90.14 138.35 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 50.3 t -86.12 125.83 67.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 110.864 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.545 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.8 6.5 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.321 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.62 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 22.2 m-85 -112.33 -63.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.5 p -90.84 -10.21 43.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 36.5 mt-10 57.77 47.91 14.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 33.5 mttt -126.24 147.95 49.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.459 ' ND2' ' HB3' ' A' ' 26' ' ' TYR . 21.5 t30 -84.82 123.78 30.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 29' ' ' SER . 56.0 m-85 -127.22 175.02 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 54' ' ' HIS . 21.7 p -92.89 146.65 23.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.4 mm? -35.85 -35.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -65.63 -45.96 81.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 51' ' ' CYS . 22.3 m170 -105.4 34.17 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -69.69 -36.1 75.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.401 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 3.6 m170 -69.66 164.32 23.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.62 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 40.8 mt-30 -66.69 -74.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.416 ' HG ' ' N ' ' A' ' 59' ' ' ASP . 84.2 p -43.38 -42.41 4.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.416 ' N ' ' HG ' ' A' ' 58' ' ' SER . 8.8 m-20 -45.45 -50.79 12.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.485 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.7 p-80 -98.18 29.96 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 41.01 52.24 3.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.3 t -42.53 113.29 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 19.5 pt-20 -61.01 -38.57 86.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 28.4 mmmt -48.25 -43.75 32.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 70.6 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.501 ' CG ' ' HB1' ' A' ' 40' ' ' ALA . 43.1 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.921 0.391 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.8 p -70.43 129.37 39.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.9 t -50.38 143.03 9.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.797 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.834 0.349 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.7 m -136.47 169.45 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -151.09 155.0 38.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -58.76 -41.33 86.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -100.93 168.48 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.501 ' HB1' ' CG ' ' A' ' 26' ' ' TYR . . . -109.65 98.2 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.5 t -79.75 89.1 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.472 HD11 ' CB ' ' A' ' 49' ' ' ASN . 36.9 mm -80.78 145.51 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 50.9 t -98.12 126.68 39.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.609 0.718 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.528 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.77 6.07 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.67 2.246 . . . . 0.0 112.332 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.566 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 21.1 m-85 -111.58 -63.33 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.4 p -90.28 -8.16 51.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 23.6 mt-10 56.29 49.12 15.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 61.7 mttt -131.47 151.77 51.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.472 ' CB ' HD11 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -89.94 126.28 35.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 39.5 m-85 -128.06 168.11 15.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 54' ' ' HIS . 20.6 p -82.58 145.59 29.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.4 mm? -36.53 -41.0 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -61.95 -42.55 99.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 51' ' ' CYS . 47.4 m170 -109.02 35.92 3.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -71.65 -40.22 69.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.447 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 25.4 t60 -63.43 164.08 9.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.566 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 40.1 mt-30 -66.94 -75.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 m -43.94 -42.0 5.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -47.41 -51.42 20.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.521 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.1 p-80 -96.37 28.23 3.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 43.69 50.48 6.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.6 t -43.62 102.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 14.2 pt-20 -45.86 -44.32 14.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.454 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 31.1 mmmt -43.96 -47.75 8.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.6 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.467 ' HB3' ' ND2' ' A' ' 49' ' ' ASN . 61.6 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.954 0.407 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.2 p -81.93 137.66 35.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.4 t -67.58 145.66 54.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.837 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.858 0.361 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.412 ' C ' ' HG2' ' A' ' 37' ' ' GLU . 15.9 m -126.32 171.99 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' HG2' ' C ' ' A' ' 36' ' ' VAL . 55.2 mm-40 -150.95 160.65 43.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.3 mt -56.48 -44.89 81.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -94.0 -179.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.2 94.93 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.8 t -70.47 94.35 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 43.0 mm -92.15 140.56 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 53.3 t -88.09 124.64 66.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.654 0.74 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.5 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.3 Cg_endo -69.72 5.57 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.376 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.554 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 17.3 m-85 -110.37 -62.78 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.8 p -91.0 -11.76 37.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 35.0 mt-10 60.24 47.49 9.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 60.2 mttt -123.47 152.87 41.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.467 ' ND2' ' HB3' ' A' ' 26' ' ' TYR . 37.6 t30 -89.54 133.58 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 45.4 m-85 -140.81 174.4 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' HIS . 28.8 p -93.45 151.57 19.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.4 mm? -38.15 -40.81 0.53 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -63.0 -43.76 97.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' CYS . 26.1 m170 -106.25 33.42 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -76.8 -37.63 55.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.507 ' N ' ' OD2' ' A' ' 59' ' ' ASP . 2.6 t-160 -55.63 -175.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.554 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 12.2 mt-30 -95.59 -48.24 5.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -83.29 35.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.507 ' OD2' ' N ' ' A' ' 56' ' ' HIS . 54.8 p-10 -128.39 -29.63 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.485 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 3.2 p-80 -110.94 25.26 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 t70 48.59 46.64 21.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.421 ' HB2' ' NE2' ' A' ' 60' ' ' HIS . 12.2 t -43.02 113.46 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.01 -33.14 66.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.5 mmmp? -61.82 -44.92 95.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.2 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.467 ' CG ' ' HB3' ' A' ' 40' ' ' ALA . 67.1 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.896 0.379 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.7 m -74.48 134.54 42.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.7 t -64.24 132.88 51.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.853 0.358 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.414 HG13 ' C ' ' A' ' 26' ' ' TYR . 14.4 m -125.29 171.38 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -147.12 156.4 42.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -53.9 -43.03 69.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.4 m -101.1 177.74 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.467 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . . . -121.17 112.81 19.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.8 t -90.03 91.84 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.444 HD11 ' CA ' ' A' ' 49' ' ' ASN . 36.9 mm -86.15 144.71 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.42 ' N ' HG23 ' A' ' 42' ' ' ILE . 53.6 t -96.7 126.29 43.67 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.681 0.753 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.495 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.9 Cg_endo -69.79 5.6 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.64 2.227 . . . . 0.0 112.366 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.533 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 20.1 m-85 -109.76 -64.74 1.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.7 p -88.26 -13.55 40.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 62.51 47.27 5.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 51.0 mttt -128.43 154.14 46.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.444 ' CA ' HD11 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -92.17 131.88 37.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 30.9 m-85 -134.54 170.1 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 54' ' ' HIS . 16.2 p -86.8 146.08 26.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.5 mm? -36.1 -42.25 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -60.84 -42.48 97.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 51' ' ' CYS . 25.1 m170 -111.12 39.98 2.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.5 ptt85 -78.09 -42.11 33.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -57.96 163.34 2.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.533 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 36.4 mt-30 -65.98 -73.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.1 m -45.82 -39.71 8.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.77 -48.01 30.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.519 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.1 p-80 -99.67 33.72 2.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' HIS . 1.1 p30 38.01 49.42 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.7 t -42.26 116.95 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 4.7 pt-20 -62.77 -37.35 86.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 1.4 mmmp? -51.82 -38.89 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 64' ' ' LYS . 41.2 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.516 ' CE1' ' HB1' ' A' ' 40' ' ' ALA . 22.3 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.893 0.378 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.4 m -85.15 143.4 28.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.6 t -63.58 143.35 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.485 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 4.3 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.418 ' O ' ' CD ' ' A' ' 37' ' ' GLU . 30.0 m -124.96 -177.04 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.418 ' CD ' ' O ' ' A' ' 36' ' ' VAL . 67.9 mm-40 -157.95 160.4 37.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.14 -47.66 77.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -98.66 175.41 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.516 ' HB1' ' CE1' ' A' ' 26' ' ' TYR . . . -116.0 104.38 11.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.2 t -80.02 95.79 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.1 mm -89.22 138.75 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 52.7 t -89.14 126.17 59.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.663 0.744 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.528 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.8 Cg_endo -69.75 5.67 1.61 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.715 2.277 . . . . 0.0 112.357 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.548 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 18.8 m-85 -111.27 -63.47 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.6 p -90.31 -7.64 52.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 7.8 mt-10 55.86 43.11 28.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 72.8 mttt -120.46 159.06 25.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -94.11 132.61 38.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 46.6 m-85 -137.68 177.07 8.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 54' ' ' HIS . 17.0 p -98.12 146.96 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -38.05 -40.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -62.46 -40.93 98.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 51' ' ' CYS . 31.0 m170 -114.12 37.41 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.401 ' CG ' ' N ' ' A' ' 56' ' ' HIS . 21.6 ptt-85 -74.04 -47.39 37.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.401 ' N ' ' CG ' ' A' ' 55' ' ' ARG . 30.7 t-80 -51.79 161.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.548 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 38.4 mt-30 -64.61 -74.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.1 p -44.72 -40.67 6.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.21 -52.23 16.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.526 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.3 p-80 -94.81 25.23 4.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.1 t0 44.06 51.6 7.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.3 t -43.53 112.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.69 -34.22 74.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 2.5 mmmp? -53.93 -43.69 69.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.9 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.414 ' CG ' ' HB1' ' A' ' 40' ' ' ALA . 52.2 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.87 0.367 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.5 p -90.69 130.46 36.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.6 t -56.14 145.7 25.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.805 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.496 ' C ' ' CD ' ' A' ' 37' ' ' GLU . 22.9 m -123.06 165.52 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.496 ' CD ' ' C ' ' A' ' 36' ' ' VAL . 14.4 mp0 -144.83 151.75 39.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mt -54.32 -47.61 72.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -90.22 176.63 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HB1' ' CG ' ' A' ' 26' ' ' TYR . . . -123.43 96.79 5.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.5 t -76.39 100.17 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.09 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.1 mm -93.84 143.56 11.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 48.3 t -94.17 126.52 48.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.721 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.503 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.0 Cg_endo -69.76 5.94 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.731 2.288 . . . . 0.0 112.349 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.548 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 18.1 m-85 -112.16 -63.13 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.8 p -90.87 -7.89 50.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 27.9 mt-10 54.3 46.39 25.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 30.5 mttm -122.74 153.5 39.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -90.4 129.77 36.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 44.4 m-85 -133.31 175.18 9.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 54' ' ' HIS . 21.7 p -94.93 146.64 24.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.6 mm? -34.96 -42.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -60.53 -45.56 93.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 51' ' ' CYS . 26.9 m170 -106.61 35.89 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -77.45 -43.19 33.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -57.54 158.02 6.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.548 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 12.2 mt-30 -65.25 -52.07 56.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.3 m -82.18 39.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -134.63 -35.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -103.52 22.4 14.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.823 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 52.4 48.69 22.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.8 t -43.75 117.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.46 ' HG2' ' N ' ' A' ' 64' ' ' LYS . 21.1 pm0 -66.63 -30.94 71.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.46 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 2.2 mmmp? -61.24 -43.5 98.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.5 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.922 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -154.04 105.5 2.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 m -156.73 175.41 14.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.83 144.91 7.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -142.66 159.09 42.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.381 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -128.75 156.45 43.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.13 103.39 1.02 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.5 p -167.83 140.83 3.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.775 0.322 . . . . 0.0 110.947 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -144.28 149.76 36.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.8 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.38 176.93 3.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.8 p -175.09 128.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 -132.41 100.89 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 96.0 t -133.27 124.27 48.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.474 ' O ' ' C ' ' A' ' 15' ' ' LYS . 64.7 t -57.5 127.76 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -32.49 146.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -81.06 147.18 30.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.4 mtp85 -78.13 157.45 78.41 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.648 0.737 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 19' ' ' LYS . 53.6 Cg_endo -69.82 84.07 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.631 2.221 . . . . 0.0 112.363 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' PRO . 12.7 tptp -35.77 138.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.8 p -111.84 121.41 44.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.119 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -47.72 -56.17 7.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -65.5 156.28 33.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -109.0 -46.02 3.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -164.06 119.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -128.51 131.94 48.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CD2' ' HB3' ' A' ' 40' ' ' ALA . 36.5 m-85 -105.36 136.66 44.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.964 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.6 p -85.11 146.17 27.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.9 t -69.29 141.23 54.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.8 m -99.51 30.59 3.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -102.75 141.09 36.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.08 93.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.99 38.81 1.01 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.474 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.5 t -149.5 133.29 16.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.94 0.4 . . . . 0.0 110.91 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.0 p -127.51 38.12 4.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -104.23 145.95 29.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.0 m -128.15 170.39 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -150.5 159.06 44.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -56.87 -46.47 81.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.8 m -88.82 170.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.526 ' HB3' ' CD2' ' A' ' 26' ' ' TYR . . . -118.33 95.38 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.4 t -74.16 101.92 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 37.9 mm -96.32 143.18 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 42.1 t -92.44 124.91 57.91 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.519 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.71 6.18 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.362 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.542 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 18.7 m-85 -111.03 -63.24 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.3 p -90.78 -7.73 51.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 37.9 mt-10 55.46 50.27 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 42.8 mttm -128.99 155.71 44.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.4 ' ND2' ' HB3' ' A' ' 26' ' ' TYR . 14.3 t30 -90.93 133.38 35.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 44.4 m-85 -138.61 173.63 11.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' HIS . 17.6 p -93.13 152.01 19.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -43.74 -39.42 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -65.0 -33.71 76.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 51' ' ' CYS . 39.4 m170 -119.97 35.92 4.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -74.97 -35.9 62.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.436 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 2.5 m170 -59.58 160.55 6.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.542 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 37.6 mt-30 -64.49 -75.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.1 t -49.99 -37.26 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.5 -50.89 29.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.513 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.5 p-80 -93.67 18.55 9.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.8 t70 55.84 52.44 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.2 t -44.28 124.54 4.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -67.4 -30.23 69.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 16.5 mmmt -66.53 -44.22 83.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LYS . 15.6 mt -37.28 153.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -93.24 48.11 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.0 t -139.76 107.82 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.61 175.98 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -73.13 140.33 80.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.565 0.698 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -0.13 6.49 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.348 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.1 ptt85 -131.68 144.83 51.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.7 mtt -104.06 175.99 5.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.29 149.71 50.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.106 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.12 101.04 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.2 t -120.34 82.15 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -142.52 135.68 28.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -64.99 103.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.6 mt -39.49 132.63 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.6 p -107.07 148.37 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 59.3 ttt-85 62.28 41.63 10.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 m -125.42 111.58 15.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.73 169.23 12.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 121.46 8.15 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.324 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 86.7 p -98.41 119.16 36.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.2 p -76.77 160.74 29.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.472 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 t -163.01 132.26 4.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.908 0.385 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 t -99.33 172.7 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.95 -126.94 5.68 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.533 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -158.57 162.49 37.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.361 . . . . 0.0 110.889 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -141.33 169.08 18.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.93 146.43 5.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.8 p -128.34 141.01 51.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 0.0 110.918 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.4 p -169.35 129.35 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -88.07 -179.96 6.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.445 ' N ' ' CD ' ' A' ' 10' ' ' GLU . 84.3 t -155.61 139.39 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.174 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -41.64 114.26 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.5 p -166.15 119.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.3 p -42.13 120.92 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -96.2 130.39 43.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -43.63 98.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -115.33 131.37 23.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 110.818 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 96.31 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.697 2.264 . . . . 0.0 112.35 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 152.94 44.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.5 p -140.58 112.04 7.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.55 105.07 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.405 ' HB3' ' ND1' ' A' ' 23' ' ' HIS . 21.0 mt-10 -132.28 -62.52 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.405 ' ND1' ' HB3' ' A' ' 22' ' ' GLU . 8.9 m80 -134.73 110.62 9.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -41.98 139.13 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 m -148.4 136.93 21.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.502 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 48.3 m-85 -119.11 138.44 52.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.2 p -85.69 130.12 34.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.47 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 10.3 t -43.19 166.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 3.6 m -109.48 -29.41 8.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -44.51 135.71 4.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -71.0 83.5 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 133.23 28.28 0.54 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.47 ' SG ' ' CB ' ' A' ' 28' ' ' CYS . 8.1 t -134.33 129.46 35.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.916 0.389 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.2 p -119.48 34.17 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.18 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.62 146.95 25.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.453 ' C ' ' CD ' ' A' ' 37' ' ' GLU . 17.3 m -118.58 162.27 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.114 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.453 ' CD ' ' C ' ' A' ' 36' ' ' VAL . 12.1 mp0 -145.91 145.52 30.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 mt -48.12 -47.87 34.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -97.28 178.7 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.502 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -119.45 98.05 5.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.3 t -75.85 95.86 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.3 mm -87.98 142.12 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 53.9 t -95.11 125.81 49.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.617 0.723 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.526 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.2 Cg_endo -69.72 5.89 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.535 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 17.9 m-85 -110.68 -60.91 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.1 p -93.47 -9.77 37.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 47.7 mt-10 56.95 43.84 23.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.551 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 25.9 mttp -122.16 152.96 39.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.419 ' O ' ' CB ' ' A' ' 29' ' ' SER . 19.8 t30 -87.71 128.57 35.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 48.4 m-85 -132.96 172.37 12.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' HIS . 24.7 p -93.3 149.45 21.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.5 mm? -37.33 -40.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -62.55 -42.59 99.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 51' ' ' CYS . 41.2 m170 -108.11 36.85 2.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -75.29 -39.99 59.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.42 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 20.2 m170 -63.72 160.67 16.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.535 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 38.7 mt-30 -64.34 -69.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.2 t -49.05 -40.95 33.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.42 ' CG ' ' HB2' ' A' ' 56' ' ' HIS . 11.1 m-20 -47.55 -52.23 18.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.486 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.0 p-80 -95.07 26.26 3.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 40.89 54.27 3.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.6 t -43.71 116.21 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -61.68 -30.25 70.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 27.9 mmmt -57.8 -44.31 86.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.3 mt -39.13 159.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -86.98 46.72 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.9 p -137.4 133.19 46.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -164.23 153.82 14.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -78.77 140.74 58.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.548 0.69 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 2.64 3.32 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.318 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.8 ptt-85 -122.56 125.28 45.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.5 tpt -147.55 123.87 10.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.17 -43.63 14.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.93 96.63 6.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.07 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.1 t -67.35 127.52 32.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -165.89 111.01 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -141.77 137.13 31.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -155.45 163.17 40.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.433 ' N ' HD22 ' A' ' 78' ' ' LEU . 14.8 p -160.67 137.39 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -127.1 -29.48 2.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -64.55 130.47 43.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -143.51 -157.72 7.28 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 87.59 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.307 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.2 m -127.06 97.45 4.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.4 t -76.51 107.82 9.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.504 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -149.81 143.9 25.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.826 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -160.72 145.12 13.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.63 151.37 21.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 t -170.43 163.95 8.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.907 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -136.72 165.48 25.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.49 91.28 0.51 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.2 m -91.03 152.09 20.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 t -98.85 134.34 41.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -121.03 179.07 4.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.4 p -175.24 138.61 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -112.08 139.92 47.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.0 t -122.87 131.93 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.146 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.5 t -76.01 95.25 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -108.33 133.8 52.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -52.02 143.69 13.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -53.46 154.11 6.67 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 19' ' ' LYS . 54.3 Cg_endo -69.67 136.84 34.27 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.371 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 18' ' ' PRO . 8.5 mtmp? -34.76 150.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 21' ' ' ASP . 11.4 t -121.65 130.73 53.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 20' ' ' THR . 10.8 m-20 -35.05 115.02 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -44.89 -46.53 10.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -68.74 129.21 39.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -94.21 156.11 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.7 p -111.21 125.03 53.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.471 ' CD2' ' HB1' ' A' ' 40' ' ' ALA . 90.7 m-85 -97.27 139.71 32.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.5 p -81.25 145.94 30.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.6 t -73.98 143.31 45.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 49' ' ' ASN . 4.5 m -86.35 25.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.486 ' CD2' ' HB2' ' A' ' 33' ' ' CYS . 47.3 t80 -93.64 165.39 12.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' N ' ' CD2' ' A' ' 30' ' ' PHE . 25.6 ttpp -99.38 93.16 5.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 38.5 5.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.486 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 53.9 t -107.93 -22.43 12.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.468 ' C ' ' O ' ' A' ' 33' ' ' CYS . 40.1 p 31.69 53.8 0.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -123.27 148.58 45.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.0 m -137.55 168.36 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -155.73 154.03 30.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.0 mt -57.01 -39.99 75.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.4 m -102.09 167.53 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HB1' ' CD2' ' A' ' 26' ' ' TYR . . . -107.49 93.34 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.2 t -72.6 96.96 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 33.1 mm -91.47 137.54 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 45.9 t -87.33 123.78 69.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.727 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.513 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.4 Cg_endo -69.82 5.86 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.318 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.625 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 21.7 m-85 -110.33 -60.33 1.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.3 p -94.57 -6.05 44.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 26.3 mt-10 55.47 46.4 23.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 22.3 mttp -124.22 153.01 42.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 29' ' ' SER . 32.4 t30 -89.77 130.15 36.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 57.5 m-85 -135.34 174.73 10.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' HIS . 27.8 p -92.96 150.68 20.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -38.4 -39.95 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -64.87 -40.72 95.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' CYS . 62.5 m170 -106.83 31.27 5.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -70.41 -35.38 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.416 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 63.9 m80 -67.17 166.65 13.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.625 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 41.7 mt-30 -73.29 -71.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -47.55 -39.43 16.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -47.31 -52.39 16.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.497 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 4.0 p-80 -94.44 21.96 6.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 51.34 51.23 17.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.8 t -45.6 121.71 3.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 12.8 pt-20 -64.96 -43.5 92.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.425 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.9 mmmp? -47.33 -37.86 11.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.1 mt -49.14 178.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -82.45 42.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.4 t -133.56 109.76 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -143.82 111.72 6.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.28 131.83 24.0 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.618 0.723 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -0.42 6.9 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.676 2.251 . . . . 0.0 112.351 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -83.07 81.17 8.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -174.88 153.15 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.14 103.72 15.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.59 97.13 10.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.1 p -116.36 142.11 47.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -48.95 143.6 5.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -165.48 172.49 12.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.461 ' N ' ' HD2' ' A' ' 77' ' ' LYS . 3.7 pp -135.93 149.28 48.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.9 p -119.43 120.24 63.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -174.99 129.52 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 t -64.96 172.44 2.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.78 -105.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 83.49 0.7 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.72 2.28 . . . . 0.0 112.338 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.4 p -80.26 137.71 36.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.2 t -91.1 -58.5 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.46 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m -147.92 160.67 42.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 110.849 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -126.95 92.86 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.92 152.26 5.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 t -131.52 154.8 48.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 p -51.87 156.65 1.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.08 -103.77 0.67 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.8 t -86.49 171.9 10.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.6 p -118.86 147.65 43.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -57.15 152.08 14.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.3 t -155.85 111.81 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -59.12 118.22 5.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.4 p -77.2 147.36 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.3 133.99 30.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 tttp -134.24 151.78 51.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -133.01 122.6 24.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -104.6 138.71 19.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 110.832 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -175.19 1.07 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.365 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.6 tptp 57.79 48.17 14.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.4 p -96.58 160.8 14.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' GLU . 44.3 t0 -115.87 141.45 48.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' ASP . 4.7 tp10 -34.34 -43.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -80.61 80.75 7.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.94 155.92 37.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.7 p -155.5 131.25 9.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.804 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -119.01 128.62 54.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.0 m -76.68 129.14 35.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.466 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 7.7 t -48.95 167.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.415 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 26.6 t -116.39 -25.49 7.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -44.24 137.02 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -68.47 81.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 131.57 33.54 0.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.466 ' SG ' ' CB ' ' A' ' 28' ' ' CYS . 13.0 t -141.93 137.27 31.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.942 0.401 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.7 p -132.08 34.11 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -100.22 143.19 30.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.495 ' C ' ' CD ' ' A' ' 37' ' ' GLU . 31.2 m -115.22 159.78 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.495 ' CD ' ' C ' ' A' ' 36' ' ' VAL . 13.2 mp0 -140.13 152.51 46.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 mt -50.52 -45.06 56.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.8 m -102.24 175.78 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.57 109.39 16.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.071 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.4 t -86.19 95.2 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.464 HD11 ' CA ' ' A' ' 49' ' ' ASN . 25.8 mm -84.76 143.93 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 43.0 t -98.63 126.41 39.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.507 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.4 Cg_endo -69.76 5.61 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.626 2.218 . . . . 0.0 112.358 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.552 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 16.9 m-85 -110.69 -63.23 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.8 p -90.82 -6.54 54.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 2.9 mm-40 54.53 46.8 24.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 51.6 mttm -127.22 150.47 49.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.464 ' CA ' HD11 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -89.78 128.8 36.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 33.0 m-85 -129.93 171.95 12.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 54' ' ' HIS . 24.8 p -87.53 146.77 25.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.5 mm? -35.67 -41.45 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -61.89 -44.66 96.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 51' ' ' CYS . 42.8 m170 -106.44 33.92 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 56' ' ' HIS . 6.7 ptm180 -72.57 -44.89 61.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.453 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 7.2 t-80 -57.45 165.35 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.552 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 34.9 mt-30 -68.23 -74.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 t -45.51 -40.65 8.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -46.45 -51.94 14.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.486 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 2.8 p-80 -94.6 27.27 3.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 40.5 53.71 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.2 t -44.44 119.05 1.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -62.22 -37.6 85.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 18.9 mmmt -53.64 -42.49 67.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.2 mt -39.52 159.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -78.9 47.73 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.6 t -138.6 117.02 13.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.99 117.89 3.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.492 ' HE3' ' N ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -52.5 143.2 28.58 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.721 . . . . 0.0 110.918 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -1.53 8.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.244 . . . . 0.0 112.31 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.403 ' HB2' ' CG ' ' A' ' 69' ' ' LYS . 44.8 mtt180 -50.03 118.54 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 tpp -52.78 -47.65 67.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.85 147.45 33.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -136.73 106.89 6.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.3 m -47.63 133.76 13.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -108.39 -35.07 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -107.38 107.31 18.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.5 mt -111.01 44.76 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.3 m -83.17 36.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.169 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -77.01 86.75 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.8 p -167.33 117.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.87 -178.41 15.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 98.64 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.383 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.8 p -171.45 128.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.0 t -40.18 132.52 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.474 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.7 m -147.27 157.55 43.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 t -47.69 -59.36 3.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.59 -171.15 4.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -170.41 118.72 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.844 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -120.09 96.35 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.44 53.01 4.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 85.1 m -137.52 145.39 42.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.3 t -92.65 142.09 27.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -59.25 153.23 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.4 p -175.13 115.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -120.79 120.04 34.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -156.0 147.23 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 p -96.73 140.39 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -122.3 113.88 20.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -171.12 143.37 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -121.56 121.07 28.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 19' ' ' LYS . 53.4 Cg_endo -69.78 89.61 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -34.05 146.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.3 p -104.87 116.56 32.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -126.56 89.54 3.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -143.78 158.86 43.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -129.71 -60.48 1.04 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -165.77 135.22 3.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.7 p -148.52 126.74 12.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.505 ' CD2' ' HB1' ' A' ' 40' ' ' ALA . 80.8 m-85 -101.13 119.18 38.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -67.31 141.77 57.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.5 t -71.43 141.06 50.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.547 ' OG ' ' CE2' ' A' ' 50' ' ' PHE . 60.8 p -97.76 38.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 33' ' ' CYS . 8.5 t80 -103.57 140.9 36.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -72.77 84.42 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 119.71 34.71 0.97 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.477 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.428 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 44.3 t -137.83 138.88 39.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.0 p -131.66 40.78 3.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.94 145.02 40.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.2 m -127.17 168.88 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -145.96 157.11 43.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mt -56.0 -41.89 75.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.8 m -94.99 168.2 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.505 ' HB1' ' CD2' ' A' ' 26' ' ' TYR . . . -114.77 104.03 11.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.4 t -83.02 95.1 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 43' ' ' CYS . 34.0 mm -87.8 143.16 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.418 ' N ' HG22 ' A' ' 42' ' ' ILE . 49.7 t -96.5 125.99 45.21 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.644 0.735 . . . . 0.0 110.895 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.523 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.0 Cg_endo -69.8 6.17 1.43 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.647 2.231 . . . . 0.0 112.311 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.536 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 19.8 m-85 -111.02 -63.6 1.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.9 p -90.44 -7.79 52.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 35.9 mt-10 55.16 45.33 26.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 50.5 mttm -123.36 158.73 30.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.469 ' ND2' ' HB3' ' A' ' 26' ' ' TYR . 6.5 t30 -95.18 124.88 39.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 26.5 m-85 -127.83 173.95 9.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 54' ' ' HIS . 18.6 p -94.74 147.54 23.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.832 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.5 mm? -36.35 -40.71 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -62.11 -43.34 99.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 51' ' ' CYS . 25.2 m170 -111.7 40.74 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -77.41 -42.79 34.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.404 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 94.4 m-70 -58.14 162.58 3.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.536 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 36.2 mt-30 -64.92 -76.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.0 m -45.46 -38.71 6.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.404 ' CG ' ' HB2' ' A' ' 56' ' ' HIS . 8.3 m-20 -48.67 -48.96 39.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.475 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 2.7 p-80 -98.54 33.17 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 39.94 48.23 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.6 t -43.52 110.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -55.32 -48.02 74.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 29.1 mmmt -40.06 -45.11 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.3 mt -42.49 165.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -80.31 43.86 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.6 m -103.65 148.43 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.146 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.37 120.97 21.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -105.22 140.71 21.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 2.09 3.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.448 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 4.8 ptp180 -131.93 172.91 11.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -159.74 119.39 2.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.43 110.59 13.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -153.99 105.59 2.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.7 p -54.55 -44.31 72.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -88.62 130.04 35.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.2 155.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -40.8 160.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.9 m -100.98 122.67 53.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -174.54 115.39 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.4 m -161.32 157.79 25.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.9 138.55 7.18 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -38.79 7.39 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m 61.89 41.17 11.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.7 m -54.13 -51.09 65.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.46 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -74.41 147.69 41.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.38 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.0 m -80.76 -50.62 9.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.84 162.64 12.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 t -103.02 110.87 22.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 p -122.96 121.96 37.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.36 119.09 0.5 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.531 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.6 t -109.49 86.71 2.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.1 m -50.21 107.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -108.52 165.45 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.8 p -162.36 140.37 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -138.03 113.0 9.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.8 p -86.49 146.0 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.7 m -124.9 136.35 61.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -133.92 91.31 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' CD ' ' C ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -157.09 178.09 10.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.936 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -146.64 127.55 7.17 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.628 0.728 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 172.17 13.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.63 2.22 . . . . 0.0 112.348 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt 62.04 42.76 9.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 t -139.75 159.06 43.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.106 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -125.97 88.72 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -59.95 151.72 25.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -48.75 174.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.1 157.58 34.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.8 p -125.47 130.52 51.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.524 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 83.6 m-85 -105.05 122.05 45.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 96.0 p -74.86 127.33 32.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 38.7 t -50.85 136.94 21.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 m -94.92 32.4 1.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -102.87 153.03 20.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -80.84 92.38 6.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.03 36.97 1.42 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 40.5 t -149.63 133.27 16.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.943 0.402 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.4 p -127.04 31.67 5.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -92.28 142.7 27.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.3 m -115.27 176.64 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -151.9 151.53 31.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.55 -41.63 63.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -105.81 -179.56 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.127 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.524 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -116.63 113.09 22.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.0 t -91.94 89.24 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.473 HD12 ' CA ' ' A' ' 49' ' ' ASN . 26.7 mm -84.29 140.38 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.1 t -93.4 125.19 55.09 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.63 0.729 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.495 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.7 Cg_endo -69.77 5.27 1.77 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.585 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 15.4 m-85 -108.9 -62.14 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.3 p -92.11 -7.67 47.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 57.42 49.22 13.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 28.4 mttp -132.71 152.71 51.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.473 ' CA ' HD12 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -92.11 132.92 36.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 41.5 m-85 -134.3 171.62 14.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 54' ' ' HIS . 20.3 p -86.01 149.4 25.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -41.63 -38.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -64.61 -37.41 87.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 51' ' ' CYS . 38.9 m170 -114.78 29.84 7.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -66.2 -42.49 88.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -56.3 168.37 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.585 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 39.6 mt-30 -73.36 -73.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.1 m -46.43 -36.9 6.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -49.46 -52.25 30.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.487 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.2 p-80 -93.8 17.88 11.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 55.6 51.5 12.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.6 t -44.29 100.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -46.28 -33.28 3.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.408 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.6 mmmp? -59.25 -44.44 92.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.2 mt -41.21 162.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -77.53 50.25 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 68' ' ' ALA . 48.9 t -118.11 138.95 47.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 69' ' ' LYS . . . -35.54 138.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' ALA . 15.2 mtpt -33.91 140.24 0.26 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.59 0.71 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 71' ' ' ARG . 53.2 Cg_endo -69.78 -10.04 27.58 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 70' ' ' PRO . 2.5 mmp_? 36.36 40.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 73' ' ' ALA . 7.4 mtp -76.74 152.2 35.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 72' ' ' MET . . . -35.47 -47.39 0.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 63.76 40.85 7.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.9 m -56.43 92.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.189 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -82.49 179.2 7.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.57 155.46 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.68 94.13 6.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.0 t -147.1 112.25 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.6 ptt85 -112.02 125.67 54.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.7 t -89.75 -46.84 8.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -87.2 121.63 5.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 109.5 2.33 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 92.9 p -144.93 159.66 42.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.7 m -107.38 125.39 51.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.797 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.454 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.0 m 42.42 41.99 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.841 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.3 p -167.27 171.25 10.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.28 156.58 9.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 p -169.87 130.18 1.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -167.7 150.3 5.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.4 104.36 0.17 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.4 m -116.9 155.19 29.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.0 p -168.45 110.39 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -104.04 -177.47 3.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -175.36 151.2 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -75.15 130.41 39.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 p -46.89 131.57 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.4 m -55.08 116.65 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -143.77 167.28 22.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -171.16 140.37 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -123.18 113.0 29.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 95.34 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -110.67 131.9 54.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 21' ' ' ASP . 80.3 p -79.17 -49.85 11.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' THR . 6.3 p-10 36.76 41.63 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -90.58 -44.87 9.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -62.78 150.54 41.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -130.27 170.62 13.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.8 p -138.68 131.89 30.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.417 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 70.4 m-85 -117.19 146.22 43.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.7 p -93.7 129.08 40.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.0 t -52.07 138.32 25.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m -95.45 29.74 2.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -101.72 147.85 25.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -76.72 98.85 4.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.45 38.63 2.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.4 t -147.8 127.73 13.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.924 0.392 . . . . 0.0 110.843 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.8 p -121.8 35.95 4.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -99.2 147.45 25.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -127.24 167.45 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -146.29 157.41 43.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -49.54 -44.11 46.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.2 m -108.82 -178.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.417 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -120.43 110.56 16.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.2 t -77.91 90.16 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.436 HD12 ' CA ' ' A' ' 49' ' ' ASN . 32.1 mm -78.83 134.13 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 41.9 t -85.95 125.76 67.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.601 0.715 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.2 Cg_endo -69.68 6.26 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.559 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 22.2 m-85 -111.82 -60.61 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.976 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.3 p -94.91 -4.81 46.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 5.8 mm-40 55.24 48.44 19.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.528 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 36.1 mttm -127.26 149.25 50.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.436 ' CA ' HD12 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -88.0 132.34 34.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.528 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 52.6 m-85 -136.26 175.97 9.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 54' ' ' HIS . 17.5 p -92.64 152.36 19.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -45.36 -38.03 5.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -66.85 -31.3 71.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' CYS . 43.5 m170 -122.44 34.91 5.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -75.23 -36.98 61.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.421 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 4.6 m170 -57.88 163.62 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.559 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 37.6 mt-30 -68.34 -73.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.4 m -49.97 -37.78 33.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.88 -48.2 51.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.547 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 2.2 p-80 -95.47 20.56 9.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.7 t70 50.97 54.31 11.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.6 t -47.66 126.87 10.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.9 pm0 -73.94 -23.55 59.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.419 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.9 mmmp? -67.65 -41.72 83.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.2 mt -40.74 160.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -78.94 46.51 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.2 t -141.43 107.3 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.72 134.79 38.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -143.38 144.12 26.84 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.514 0.673 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 1.18 4.72 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.316 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.3 mmt-85 -66.75 155.76 37.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.4 ptm -97.26 168.42 10.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.44 140.1 50.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.61 167.12 1.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.4 m -125.62 136.68 53.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.166 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -76.73 92.94 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -96.07 131.81 42.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.98 122.78 15.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -145.84 115.6 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.5 mtm180 -151.57 129.72 11.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 m -130.72 97.35 4.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -137.12 120.38 2.1 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 167.34 24.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 96.2 p -66.89 119.4 11.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.5 m -147.12 154.81 41.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.455 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -51.56 99.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -98.47 -44.33 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.58 -135.94 3.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m -102.7 42.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.823 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 m -124.1 174.23 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.83 85.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.9 t -132.41 159.81 38.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 t -117.51 162.6 17.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.2 162.4 7.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 83.3 t -134.98 137.88 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -79.04 146.55 33.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.2 t -141.77 142.1 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -95.65 -176.75 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.198 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.48 143.8 31.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -133.38 43.6 2.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.485 ' N ' ' NE ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -44.96 137.84 4.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.598 0.713 . . . . 0.0 110.9 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 128.08 15.48 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.716 2.278 . . . . 0.0 112.312 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 tptp -86.55 147.37 25.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.5 p -124.71 104.5 8.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -104.1 95.62 6.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -106.0 -59.85 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -92.41 108.39 19.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -63.64 152.11 39.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 p -144.47 138.46 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -107.73 135.15 49.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.3 p -78.84 133.17 37.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.7 t -61.22 140.4 57.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 m -100.27 33.53 2.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 60' ' ' HIS . 64.4 t80 -105.51 150.38 25.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -79.84 89.52 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.25 36.81 0.78 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.1 t -147.52 135.25 21.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.1 p -129.31 32.77 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -103.54 153.52 20.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.9 m -128.68 169.96 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -145.47 155.04 42.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mt -55.3 -39.26 69.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.6 m -103.13 171.06 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.48 112.38 22.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.5 t -89.5 90.79 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.7 mm -82.08 139.66 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 46.3 t -92.25 125.27 57.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.522 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.5 Cg_endo -69.71 6.37 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.531 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 24.7 m-85 -111.81 -61.54 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.8 p -93.52 -5.05 49.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 6.5 mt-10 54.84 45.63 26.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 45.2 mttm -123.65 153.54 40.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.89 131.0 39.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 37.9 m-85 -132.45 174.97 9.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 54' ' ' HIS . 27.7 p -90.97 146.13 24.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.2 mm? -36.17 -39.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HG3' ' CD2' ' A' ' 54' ' ' HIS . 8.0 tpm_? -63.28 -44.48 94.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' CYS . 30.2 m170 -107.25 34.31 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 56' ' ' HIS . 23.5 ptt180 -74.59 -42.12 59.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.4 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 57.0 m-70 -55.34 167.44 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.531 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 19.3 mt-30 -75.76 -49.18 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.2 t -82.56 38.7 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -133.74 -34.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.458 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 2.4 p-80 -104.31 23.49 13.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.7 t70 50.14 50.76 18.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.0 t -47.56 115.15 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 64' ' ' LYS . 23.3 pm0 -63.88 -28.92 70.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.424 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 48.6 mmtt -68.71 -44.57 73.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.4 mt -39.22 156.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.422 ' O ' ' CD ' ' A' ' 66' ' ' GLU . 5.5 tm-20 -81.11 45.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.423 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 27.2 m -114.42 82.8 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.1 78.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -135.13 143.21 44.86 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.601 0.715 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -5.66 16.72 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.674 2.249 . . . . 0.0 112.368 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 72' ' ' MET . 57.0 mtp85 -52.18 -53.26 45.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 71' ' ' ARG . 6.1 ptp -34.34 135.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -159.9 162.7 34.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -139.12 125.15 19.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.5 p -116.55 39.43 3.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -146.8 156.94 43.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -101.77 41.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.75 143.26 3.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.2 m -108.09 37.62 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.15 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -103.04 83.69 2.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 84.9 p -148.05 125.27 11.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -158.63 75.58 0.2 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 103.09 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.358 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.2 m -68.59 -55.95 9.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.4 m 47.94 42.16 15.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.498 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m -120.77 92.37 3.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.923 0.392 . . . . 0.0 110.886 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -102.62 85.81 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.94 48.88 18.97 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -98.27 135.77 39.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 p -161.52 125.71 3.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.3 95.22 0.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.0 m -115.48 41.81 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.9 p -139.03 111.09 7.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -137.66 167.68 21.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.9 p -162.84 143.33 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.096 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.14 134.41 51.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 14' ' ' VAL . 95.9 t -89.94 138.29 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.437 ' N ' HG13 ' A' ' 13' ' ' VAL . 90.4 t -142.05 113.23 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -109.31 174.82 5.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -89.63 132.18 35.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -125.02 145.28 49.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 124.22 10.88 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -71.41 -56.86 5.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.5 p -44.18 148.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -138.13 152.14 48.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -152.66 154.15 34.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.4 OUTLIER -101.98 91.72 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -97.97 178.42 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 m -165.9 133.58 2.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.505 ' CG ' ' HB3' ' A' ' 40' ' ' ALA . 75.7 m-85 -106.59 147.11 29.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.936 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.4 m -89.47 133.45 34.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.2 t -57.03 136.96 56.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m -93.72 27.54 2.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.495 ' CD1' ' HA ' ' A' ' 60' ' ' HIS . 76.0 t80 -101.18 130.38 47.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -66.01 89.46 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.63 37.57 0.58 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.1 t -149.42 137.22 20.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.97 0.414 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.1 p -128.08 41.29 3.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -110.21 143.59 40.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.6 m -119.87 171.74 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -152.22 147.25 26.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -48.76 -43.04 37.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.44 167.17 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.505 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . . . -109.88 109.01 19.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.069 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.4 t -83.17 91.66 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.477 HD12 ' CA ' ' A' ' 49' ' ' ASN . 33.9 mm -83.99 141.41 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.449 ' N ' HG22 ' A' ' 42' ' ' ILE . 46.9 t -90.17 126.5 56.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.587 0.708 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.541 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.0 Cg_endo -69.77 6.64 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.639 2.226 . . . . 0.0 112.388 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.557 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 22.3 m-85 -112.56 -63.75 1.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.2 p -89.95 -12.02 40.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 22.0 mt-10 61.3 50.35 4.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 24.2 mttm -128.8 144.94 51.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.477 ' CA ' HD12 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -84.8 131.27 34.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.829 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 61.5 m-85 -135.0 175.89 9.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 54' ' ' HIS . 19.2 p -93.22 146.12 23.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -37.98 -41.49 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -61.98 -40.03 94.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 51' ' ' CYS . 34.8 m170 -113.81 38.16 3.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -78.83 -37.12 41.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.493 ' CD2' ' H ' ' A' ' 57' ' ' GLN . 9.2 t-160 -53.3 167.78 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 17.5 mt-30 -78.81 -47.38 16.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.4 m -81.06 18.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.83 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.0 -38.27 5.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.495 ' HA ' ' CD1' ' A' ' 30' ' ' PHE . 5.2 p-80 -104.43 29.47 6.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.9 t70 45.49 48.71 10.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 10.6 t -41.38 130.37 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -78.05 -23.97 47.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -87.38 26.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.0 mt -100.94 161.25 13.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -92.8 44.1 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.2 t -104.08 146.4 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.68 104.14 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' A' ' 71' ' ' ARG . 36.2 pttt -112.43 136.03 21.45 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.579 0.704 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 7.55 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.373 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.405 ' H ' ' C ' ' A' ' 69' ' ' LYS . 24.8 mtp85 -103.05 89.56 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.24 122.22 3.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.24 85.91 2.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.58 39.65 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.0 p -133.91 172.35 12.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -124.98 143.65 50.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -124.62 155.59 38.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 79' ' ' VAL . 2.5 tt -49.74 135.63 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.419 ' N ' HD23 ' A' ' 78' ' ' LEU . 89.5 t -72.84 -61.81 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -100.76 82.25 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.6 p -43.24 157.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -164.81 -179.31 38.76 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 6.6 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 0.0 112.385 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 t -80.65 116.63 20.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.9 m -41.05 -42.83 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.518 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t -160.49 119.98 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -148.82 160.93 42.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.81 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.57 148.73 15.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 p -174.92 155.2 2.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 0.0 110.908 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -101.14 125.24 47.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.01 145.64 4.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 m -153.22 115.47 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.9 t -107.2 165.82 11.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -76.16 175.16 9.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.3 t -151.97 111.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -109.06 90.88 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.408 HG23 ' N ' ' A' ' 14' ' ' VAL . 9.6 p -173.86 144.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.152 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.408 ' N ' HG23 ' A' ' 13' ' ' VAL . 68.2 t -94.85 105.76 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -119.26 18.69 12.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -128.03 103.95 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -145.42 115.75 4.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.589 0.709 . . . . 0.0 110.92 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 174.18 9.84 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -109.26 110.82 22.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 t -80.14 -33.37 38.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -142.53 118.64 10.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.34 135.45 17.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -91.34 150.26 21.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -100.41 139.57 35.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 77.7 p -94.66 121.69 36.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.456 ' CG ' ' HB1' ' A' ' 40' ' ' ALA . 87.2 m-85 -100.91 135.0 43.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.9 p -88.82 130.04 35.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.0 t -53.53 144.43 17.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.461 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 6.7 t -85.71 13.84 6.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -93.58 125.23 38.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -75.38 81.89 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.97 26.06 0.79 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.462 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 34' ' ' THR . 38.2 t -115.19 -25.74 7.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.819 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.471 ' C ' ' O ' ' A' ' 33' ' ' CYS . 35.3 p 31.99 53.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -125.36 149.88 47.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 m -135.25 163.57 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -150.24 151.62 33.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.35 -32.1 70.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.2 m -105.54 163.9 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB1' ' CG ' ' A' ' 26' ' ' TYR . . . -110.46 103.8 12.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.6 t -84.39 88.19 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.471 HD12 ' CA ' ' A' ' 49' ' ' ASN . 16.3 mm -80.65 138.18 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.6 t -91.13 124.43 61.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.624 0.725 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.484 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.9 Cg_endo -69.82 5.44 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.583 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 21.7 m-85 -109.23 -61.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.7 p -92.34 -8.97 43.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 60.03 44.92 12.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 66.1 mttt -126.83 153.01 46.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.471 ' CA ' HD12 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -94.76 130.33 41.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 24.1 m-85 -132.31 170.32 15.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 54' ' ' HIS . 25.1 p -82.14 146.87 29.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.6 mm? -35.85 -40.6 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -62.87 -44.76 95.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.505 ' N ' ' O ' ' A' ' 51' ' ' CYS . 55.4 m170 -103.92 29.05 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 56' ' ' HIS . 5.7 ptm180 -68.06 -43.8 77.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.433 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 4.5 m-70 -60.31 166.54 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.583 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 35.6 mt-30 -70.14 -74.4 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.8 m -45.24 -36.66 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.62 -52.26 49.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.469 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.1 p-80 -94.5 23.53 5.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 45.18 53.66 7.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 10.5 t -45.12 111.49 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -56.46 -36.64 69.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -52.27 -46.28 65.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.3 mt -43.28 166.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.0 pm0 -91.78 34.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.8 p -110.33 117.32 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -100.2 134.73 42.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -147.39 139.61 14.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.576 0.703 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -6.21 18.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.712 2.275 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -56.72 122.7 12.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.4 mmt -52.03 159.79 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.94 167.58 22.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.99 178.66 7.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.2 m -104.49 -45.61 4.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -41.07 130.78 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.11 128.82 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -100.75 157.83 16.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.8 p -170.63 136.16 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.46 165.42 17.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.0 m -100.97 138.24 38.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.73 154.36 39.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 88.58 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.679 2.252 . . . . 0.0 112.368 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 t -114.69 107.13 15.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.9 t -168.21 150.25 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.487 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.429 -0.269 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -152.58 118.57 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.381 . . . . 0.0 110.873 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -160.54 156.6 26.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.38 93.43 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -112.31 83.92 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 t -116.19 144.88 43.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.9 109.95 0.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.7 m -143.07 109.79 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.4 p -149.04 177.22 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 12.3 tt0 -151.06 153.12 34.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.423 ' C ' ' OD1' ' A' ' 12' ' ' ASN . 94.8 t -157.58 114.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.092 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.423 ' OD1' ' C ' ' A' ' 11' ' ' VAL . 5.2 m-20 -133.58 171.2 14.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.5 t -122.59 119.85 59.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.2 t -111.3 110.75 33.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -111.27 136.59 50.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -111.89 142.92 43.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.3 ppt_? -75.83 144.03 75.7 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.54 0.685 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 176.34 6.95 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.665 2.244 . . . . 0.0 112.314 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -79.7 152.03 30.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 t -170.95 129.42 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 22' ' ' GLU . 18.3 p-10 -121.38 69.35 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 21' ' ' ASP . 3.4 tp10 34.29 49.21 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 42.4 p-80 -83.55 89.04 7.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -82.83 110.94 18.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.8 p -117.73 124.25 48.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.459 ' CG ' ' HB3' ' A' ' 40' ' ' ALA . 81.1 m-85 -99.37 123.4 43.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.934 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.8 m -68.8 131.04 44.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.2 t -57.21 144.36 35.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.574 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 5.9 t -90.08 26.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.531 ' CD2' ' N ' ' A' ' 31' ' ' LYS . 51.6 t80 -91.64 173.26 7.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.531 ' N ' ' CD2' ' A' ' 30' ' ' PHE . 8.1 ttpm? -101.69 94.66 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.24 39.99 8.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.489 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 53.1 t -106.07 -20.21 13.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.484 ' C ' ' O ' ' A' ' 33' ' ' CYS . 38.2 p 30.54 53.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -124.87 146.1 49.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.87 165.96 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -152.0 154.53 36.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -56.45 -42.66 78.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.4 m -92.9 176.69 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.459 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . . . -122.01 103.78 9.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.446 ' CG1' ' HB2' ' A' ' 55' ' ' ARG . 84.9 t -85.71 94.72 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.455 HD11 ' CA ' ' A' ' 49' ' ' ASN . 41.7 mm -87.93 146.68 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 48.5 t -98.43 127.21 36.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.718 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.525 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.9 Cg_endo -69.73 6.37 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.647 2.231 . . . . 0.0 112.401 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.565 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 21.2 m-85 -112.26 -64.0 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.923 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.1 p -89.48 -8.0 53.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 33.8 mt-10 55.5 48.8 18.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 66.1 mttt -128.82 151.71 49.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.455 ' CA ' HD11 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -91.9 128.42 37.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 29' ' ' SER . 26.9 m-85 -129.79 168.05 17.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 54' ' ' HIS . 22.2 p -80.6 146.77 31.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.4 mm? -37.0 -39.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -63.02 -42.73 99.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.506 ' N ' ' O ' ' A' ' 51' ' ' CYS . 41.7 m170 -108.25 33.72 3.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.446 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 31.2 ptt-85 -75.38 -36.41 60.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -62.75 169.66 3.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.565 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 13.0 mt-30 -77.92 -48.06 17.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 p -80.69 39.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -134.26 -38.93 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.409 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 2.3 p-80 -100.74 29.78 4.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 p30 43.25 46.83 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.7 t -44.24 118.68 1.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 8.3 pt-20 -67.03 -38.52 86.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 40.9 mmtm -57.01 -45.13 83.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.2 mt -38.37 157.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -81.48 45.94 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.2 t -123.55 130.1 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.25 107.46 18.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.401 ' C ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -115.19 140.54 25.82 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.585 0.707 . . . . 0.0 110.878 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 6.9 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.727 2.285 . . . . 0.0 112.321 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.401 ' H ' ' C ' ' A' ' 69' ' ' LYS . 66.2 mmt-85 -50.53 173.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -78.93 166.0 22.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.92 -175.99 5.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 64.67 42.7 4.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.3 m -131.89 124.6 29.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.149 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -160.2 171.93 18.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 ptpt -127.73 99.98 5.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.58 100.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.9 p -153.2 136.92 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.8 ptt-85 -129.87 145.99 51.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.6 t -50.77 144.62 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.449 ' C ' ' H ' ' A' ' 84' ' ' SER . . . -82.01 -153.35 11.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 85' ' ' SER . 54.2 Cg_endo -69.73 11.12 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.703 2.269 . . . . 0.0 112.351 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 83' ' ' PRO . 16.0 t -33.13 93.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 83' ' ' PRO . 52.1 p -118.19 136.61 53.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.487 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 m -135.9 134.89 39.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.377 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.2 p -174.57 167.53 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.0 128.31 3.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -142.43 130.53 21.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.6 p -172.71 169.68 4.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.51 164.86 33.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.0 p -160.84 166.37 28.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.3 t -147.17 140.37 25.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -83.28 166.68 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -160.1 129.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -162.59 110.37 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.9 p -141.17 123.1 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 p -111.6 137.76 42.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -110.34 156.6 20.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -93.91 98.56 11.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.64 135.46 35.96 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.592 0.71 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 151.01 69.19 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.707 2.271 . . . . 0.0 112.358 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -97.98 34.57 1.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.4 p -136.52 116.22 13.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -73.46 167.13 21.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -132.68 152.54 51.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -99.71 140.88 33.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.796 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.83 177.09 3.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.5 m -129.5 123.75 32.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.409 ' CE1' ' HB1' ' A' ' 40' ' ' ALA . 52.2 m-85 -111.93 133.83 53.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m -84.97 131.17 34.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 t -49.96 142.18 9.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 t -100.59 27.4 5.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.814 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.411 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 39.7 t80 -99.12 157.06 16.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.82 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.411 ' N ' ' CG ' ' A' ' 30' ' ' PHE . 20.5 ttpp -87.24 89.44 8.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.13 34.36 0.97 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.3 t -143.06 140.05 30.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.5 p -132.92 37.68 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -105.76 144.18 32.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.8 m -117.15 177.9 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -154.02 158.26 40.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 mt -59.39 -44.3 92.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.5 m -102.58 174.6 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.409 ' HB1' ' CE1' ' A' ' 26' ' ' TYR . . . -113.76 111.66 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 74.6 t -87.79 89.87 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.408 HD12 ' CA ' ' A' ' 49' ' ' ASN . 33.5 mm -81.85 141.21 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 48.5 t -94.02 125.88 51.14 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.666 0.746 . . . . 0.0 110.832 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.517 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.77 5.81 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.633 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 23.2 m-85 -111.33 -61.95 1.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.6 p -92.36 -5.54 51.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 41.9 mt-10 53.99 49.24 19.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.513 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 48.5 mttm -129.78 153.22 48.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.408 ' CA ' HD12 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -91.24 133.9 35.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.513 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 39.3 m-85 -136.25 170.77 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' HIS . 18.9 p -86.29 147.17 26.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.1 mm? -37.63 -42.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -61.31 -40.68 95.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' CYS . 41.8 m170 -111.58 36.82 3.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.6 ptt-85 -74.16 -45.38 48.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.445 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 6.4 t-80 -55.07 165.74 0.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.806 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.633 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 39.0 mt-30 -68.13 -73.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.2 m -48.56 -37.71 18.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -47.91 -51.55 22.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.499 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.8 p-80 -94.34 21.63 6.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 50.6 53.47 12.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.1 t -41.76 121.79 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.4 pm0 -67.26 -25.62 66.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' LEU . 27.7 mmmt -68.45 -45.48 72.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' LYS . 27.3 mt -36.69 155.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -94.99 42.57 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.07 128.55 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -173.04 156.97 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -136.23 135.52 21.21 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.566 0.698 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -6.3 18.29 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.711 2.274 . . . . 0.0 112.312 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.4 mtp-105 -51.89 125.87 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.431 ' SD ' ' C ' ' A' ' 72' ' ' MET . 1.0 OUTLIER -83.32 154.12 24.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.71 118.61 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.14 96.92 6.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.4 t -164.98 129.05 2.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -174.93 144.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -90.39 103.36 16.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.5 tp -77.64 120.9 23.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.6 p -164.18 135.1 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.04 -16.15 6.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.2 p -154.41 156.49 36.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.26 98.27 0.24 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 152.29 68.9 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.666 2.244 . . . . 0.0 112.322 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 t -127.81 156.02 43.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 t -126.39 154.04 44.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.195 -0.78 . . . . 0.0 112.459 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -86.67 149.55 24.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 110.83 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.3 m -86.74 112.82 22.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.14 -167.79 11.61 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 t -63.73 120.26 11.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 0.0 110.856 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -99.32 105.75 17.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.82 44.09 0.99 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.4 m -57.05 101.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.8 p -116.18 132.7 56.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -62.49 160.93 12.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.4 t -132.55 116.15 27.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -119.58 133.15 55.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -170.53 141.81 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -96.35 152.75 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 147.85 49.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -152.32 139.05 18.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -130.79 131.16 23.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 171.8 13.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.252 . . . . 0.0 112.317 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -83.47 45.43 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.4 p -121.04 37.57 4.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -94.22 84.2 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 23' ' ' HIS . 37.3 mm-40 -71.78 130.04 40.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 22' ' ' GLU . 13.8 m80 -34.26 145.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.534 ' HG3' ' CE1' ' A' ' 26' ' ' TYR . 9.2 pttm -92.52 107.23 19.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 24' ' ' LYS . 23.8 p -34.18 120.37 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.534 ' CE1' ' HG3' ' A' ' 24' ' ' LYS . 31.3 m-85 -99.92 115.35 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.1 p -74.87 134.68 41.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.8 t -56.41 134.32 53.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -95.06 30.99 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.543 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 52.1 t80 -97.88 166.34 11.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.543 ' N ' ' CG ' ' A' ' 30' ' ' PHE . 68.2 tttt -91.5 94.52 9.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.11 37.7 1.78 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 33.3 t -146.47 127.13 14.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.7 p -123.06 39.69 3.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -106.33 151.69 24.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -126.74 172.36 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -150.77 160.72 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mt -65.6 -40.47 92.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.4 m -96.62 156.6 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.472 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . . . -104.86 107.0 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.0 t -88.9 93.48 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.464 HD11 ' CB ' ' A' ' 49' ' ' ASN . 31.0 mm -86.07 144.39 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 50.2 t -96.94 125.76 45.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.645 0.736 . . . . 0.0 110.879 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.486 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.75 4.88 1.93 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.746 2.297 . . . . 0.0 112.339 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.543 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 11.8 m-85 -108.7 -61.53 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.2 p -92.78 -8.44 43.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 13.4 mt-10 57.76 47.91 14.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 36.0 mttm -130.49 153.65 48.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.464 ' CB ' HD11 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -91.11 129.81 37.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 33.8 m-85 -132.19 170.79 14.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' HIS . 16.5 p -86.99 151.12 23.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -43.46 -40.09 3.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -64.19 -33.74 76.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 51' ' ' CYS . 44.5 m170 -119.11 33.72 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -71.59 -41.95 68.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.446 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 41.7 m170 -56.36 166.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.543 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 31.1 mt-30 -70.21 -74.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.5 p -46.11 -41.03 11.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -47.04 -51.37 17.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.482 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 2.7 p-80 -95.49 25.78 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.6 t0 45.59 51.17 10.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.0 t -44.65 102.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -44.81 -39.97 5.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 29.3 mmmt -49.47 -43.45 45.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 64.0 mt -49.23 179.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -119.35 69.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.9 m -64.24 125.13 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.02 38.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.052 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.22 136.72 53.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.576 0.703 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -12.54 33.15 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.327 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.64 134.34 53.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -174.91 176.45 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.27 172.43 7.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -130.7 -63.4 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.049 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.6 m -143.39 115.88 8.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -84.68 156.84 21.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? -87.16 83.86 7.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.2 tp -134.67 87.68 2.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.4 p -119.58 41.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -61.56 146.35 49.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.4 p -100.14 -57.63 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.61 140.49 9.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 117.14 4.9 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.349 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.4 t -100.66 90.5 4.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.0 p -122.29 142.97 49.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.074 -0.848 . . . . 0.0 112.517 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.7 p -174.53 166.69 3.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 m -123.7 165.54 17.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.4 66.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -138.33 141.72 39.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -168.45 144.79 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.2 -119.37 1.74 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.453 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.2 t -174.66 133.9 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.358 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.5 p -157.81 143.29 17.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -162.97 167.04 23.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.4 t -142.48 111.09 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -141.69 108.17 5.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.6 t -129.7 123.85 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 p -94.94 131.98 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -149.85 141.63 23.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -98.77 86.01 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -92.77 123.67 60.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.741 . . . . 0.0 110.85 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 109.98 2.44 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -105.36 138.62 41.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.0 p -60.95 147.08 44.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -100.2 43.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -63.68 170.44 3.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -45.51 166.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -63.34 149.96 44.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.3 p -156.31 127.04 6.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.817 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.52 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 87.6 m-85 -110.11 139.84 44.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.7 m -89.23 131.18 35.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.1 t -61.05 146.6 46.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -105.51 35.97 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.793 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.41 ' CD1' ' HA ' ' A' ' 60' ' ' HIS . 79.0 t80 -103.36 155.7 18.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -81.9 92.26 6.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.81 38.2 1.6 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.513 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.1 t -141.51 133.45 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.5 p -130.15 37.05 3.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -106.69 144.93 32.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.6 m -126.45 164.26 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -145.23 156.42 43.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.86 -43.29 65.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -93.13 170.95 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.52 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -121.33 92.27 3.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -69.19 101.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 44.8 mm -96.42 137.63 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 51.3 t -86.06 123.55 71.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.616 0.722 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.505 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.8 Cg_endo -69.78 6.24 1.39 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.337 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.549 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 15.7 m-85 -110.81 -59.0 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.959 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.2 p -96.34 -10.03 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 32.3 mt-10 58.29 48.3 12.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 27.1 mttm -123.22 147.16 47.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.467 ' ND2' ' HB3' ' A' ' 26' ' ' TYR . 29.1 t30 -86.27 129.16 34.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 51.5 m-85 -134.25 176.43 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 54' ' ' HIS . 29.9 p -94.46 148.0 22.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.2 mm? -35.26 -40.45 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -63.2 -46.41 87.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' CYS . 25.6 m170 -103.02 31.87 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 -73.4 -36.58 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.501 ' N ' ' OD2' ' A' ' 59' ' ' ASP . 39.2 m170 -56.7 -174.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.549 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 13.0 mt-30 -96.98 -48.24 5.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 t -83.48 36.78 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.501 ' OD2' ' N ' ' A' ' 56' ' ' HIS . 46.8 p-10 -127.95 -35.3 2.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.475 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 5.2 p-80 -104.78 23.07 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 61' ' ' ASP . 15.5 t0 52.02 47.95 23.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 13.1 t -44.15 122.74 3.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.06 -35.54 81.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.5 mmmp? -62.03 -42.89 99.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.8 mt -40.36 158.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -101.1 49.71 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.0 t -72.12 145.48 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 69' ' ' LYS . . . -90.51 139.78 30.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER 33.72 54.29 1.37 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.528 0.68 . . . . 0.0 110.892 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 69' ' ' LYS . 53.6 Cg_endo -69.75 0.71 5.24 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -92.75 41.79 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.4 ttt -104.94 45.45 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -132.95 92.72 3.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -124.61 95.4 4.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.8 t -145.29 132.27 20.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -115.27 108.77 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.4 pttt -157.12 111.7 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 tt -50.7 127.17 17.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.6 m -117.58 119.16 60.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -145.99 139.01 25.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 61.6 p -151.32 132.21 14.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.821 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.62 -142.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 150.98 69.2 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.349 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.9 t -124.65 149.97 46.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 t -71.82 94.05 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.192 -0.782 . . . . 0.0 112.485 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 p -96.72 116.58 29.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 110.89 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -148.01 144.67 28.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.01 65.15 0.54 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.82 160.58 14.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.871 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -89.04 -61.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.73 71.14 1.32 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.468 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.7 p -97.77 43.89 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -105.28 136.19 45.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -95.74 150.4 20.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.6 t -129.86 132.84 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -95.23 112.72 24.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.0 t -118.56 101.1 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.6 p -86.6 119.22 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -56.45 107.88 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -101.77 111.06 23.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -107.77 125.66 31.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.662 0.744 . . . . 0.0 110.836 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 175.11 8.57 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.311 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -121.89 149.43 43.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.9 p -126.57 118.5 24.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -168.35 124.59 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -118.72 105.25 11.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -138.95 146.17 40.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.801 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -109.17 151.51 26.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.1 m -125.65 131.86 52.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.478 ' CG ' ' HB3' ' A' ' 40' ' ' ALA . 87.2 m-85 -115.0 126.65 55.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.4 m -79.84 134.74 36.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.3 t -52.95 157.64 1.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.563 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 44.2 m -86.9 -21.66 26.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -62.77 120.02 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -68.63 86.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.21 -29.76 2.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.431 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.488 ' O ' ' C ' ' A' ' 34' ' ' THR . 52.7 t -61.01 -26.73 67.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.94 0.4 . . . . 0.0 110.909 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.488 ' C ' ' O ' ' A' ' 33' ' ' CYS . 40.2 p 30.93 54.98 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.414 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 14.1 t0 -116.62 173.21 6.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.2 m -148.05 165.61 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -155.5 150.23 26.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.1 -40.32 70.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.3 m -105.33 -178.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.478 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . . . -116.87 94.04 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.1 t -76.18 96.13 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.6 mm -90.14 138.35 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 50.3 t -86.12 125.83 67.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 110.864 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.545 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.8 6.5 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.321 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.62 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 22.2 m-85 -112.33 -63.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.5 p -90.84 -10.21 43.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 36.5 mt-10 57.77 47.91 14.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 33.5 mttt -126.24 147.95 49.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.459 ' ND2' ' HB3' ' A' ' 26' ' ' TYR . 21.5 t30 -84.82 123.78 30.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 29' ' ' SER . 56.0 m-85 -127.22 175.02 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 54' ' ' HIS . 21.7 p -92.89 146.65 23.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.4 mm? -35.85 -35.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -65.63 -45.96 81.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 51' ' ' CYS . 22.3 m170 -105.4 34.17 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -69.69 -36.1 75.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.401 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 3.6 m170 -69.66 164.32 23.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.62 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 40.8 mt-30 -66.69 -74.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.416 ' HG ' ' N ' ' A' ' 59' ' ' ASP . 84.2 p -43.38 -42.41 4.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.416 ' N ' ' HG ' ' A' ' 58' ' ' SER . 8.8 m-20 -45.45 -50.79 12.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.485 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.7 p-80 -98.18 29.96 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 41.01 52.24 3.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.3 t -42.53 113.29 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 19.5 pt-20 -61.01 -38.57 86.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 28.4 mmmt -48.25 -43.75 32.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 70.6 mt -44.97 162.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -89.4 46.98 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -161.41 144.56 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -123.52 123.24 40.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -45.44 146.15 1.78 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.549 0.69 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -14.78 36.59 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.695 2.263 . . . . 0.0 112.349 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -84.31 85.42 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.419 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -90.26 -30.38 17.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.419 ' N ' ' HG2' ' A' ' 72' ' ' MET . . . -136.19 162.44 32.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -123.99 -57.53 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.2 p -129.98 159.44 36.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -100.33 107.58 19.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -153.85 115.26 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.9 mt -86.37 143.27 27.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.3 m -135.55 116.11 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -129.53 91.4 3.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -143.07 137.18 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -97.44 145.1 17.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 86.94 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.246 . . . . 0.0 112.358 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.8 t -89.77 -54.48 4.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.6 t -115.28 101.51 9.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 CA-C-O 119.192 -0.782 . . . . 0.0 112.476 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t 41.66 42.16 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -56.13 136.35 52.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.71 131.21 1.79 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.453 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -155.61 120.29 4.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 7' ' ' GLY . 30.2 p -150.14 145.29 26.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.76 119.06 0.3 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.3 m -66.85 99.12 0.59 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.851 0.358 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 m -140.41 122.37 15.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -78.24 149.31 33.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.1 t -152.54 106.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -136.28 150.36 48.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.6 p -125.81 146.94 30.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.093 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 m -110.93 87.28 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 16' ' ' GLU . 9.6 mtmp? -114.73 36.68 3.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' LYS . 34.1 mm-40 -35.75 110.78 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.85 143.96 20.97 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.623 0.725 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 171.22 14.79 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.393 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -125.57 128.71 48.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.2 p -131.14 83.26 2.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.91 74.2 1.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -173.2 146.4 1.43 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 13.6 p80 -151.85 115.88 4.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.58 140.06 58.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.5 p -141.77 124.59 16.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.501 ' CG ' ' HB1' ' A' ' 40' ' ' ALA . 43.1 m-85 -105.25 123.91 48.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.856 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 90.8 p -70.43 129.37 39.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.9 t -50.38 143.03 9.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -85.13 27.64 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -112.47 122.8 48.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -74.02 81.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 134.08 30.17 0.43 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 34' ' ' THR . 45.1 t -123.42 -24.26 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.915 0.388 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 33' ' ' CYS . 39.8 p 32.51 54.41 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.11 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -129.78 152.87 48.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.7 m -136.47 169.45 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -151.09 155.0 38.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -58.76 -41.33 86.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -100.93 168.48 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.501 ' HB1' ' CG ' ' A' ' 26' ' ' TYR . . . -109.65 98.2 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.5 t -79.75 89.1 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.472 HD11 ' CB ' ' A' ' 49' ' ' ASN . 36.9 mm -80.78 145.51 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 50.9 t -98.12 126.68 39.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.609 0.718 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.528 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.77 6.07 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.67 2.246 . . . . 0.0 112.332 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.566 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 21.1 m-85 -111.58 -63.33 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.4 p -90.28 -8.16 51.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 23.6 mt-10 56.29 49.12 15.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 61.7 mttt -131.47 151.77 51.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.472 ' CB ' HD11 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -89.94 126.28 35.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 39.5 m-85 -128.06 168.11 15.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 54' ' ' HIS . 20.6 p -82.58 145.59 29.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.4 mm? -36.53 -41.0 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -61.95 -42.55 99.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 51' ' ' CYS . 47.4 m170 -109.02 35.92 3.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -71.65 -40.22 69.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.447 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 25.4 t60 -63.43 164.08 9.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.566 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 40.1 mt-30 -66.94 -75.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 m -43.94 -42.0 5.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -47.41 -51.42 20.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.521 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.1 p-80 -96.37 28.23 3.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 43.69 50.48 6.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.6 t -43.62 102.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 14.2 pt-20 -45.86 -44.32 14.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.454 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 31.1 mmmt -43.96 -47.75 8.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.6 mt -39.94 160.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -81.23 41.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.5 p -150.9 136.45 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -104.43 177.33 4.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.45 ' CD ' ' HB2' ' A' ' 71' ' ' ARG . 1.8 pptp? -117.75 128.33 26.07 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.597 0.713 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 76.5 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.665 2.243 . . . . 0.0 112.375 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.45 ' HB2' ' CD ' ' A' ' 69' ' ' LYS . 48.0 mtt85 -153.17 139.07 18.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -170.19 136.17 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.12 107.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.73 154.0 30.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -50.62 112.93 0.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -79.6 176.5 9.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.0 147.26 34.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.5 tp -106.54 149.47 27.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.4 m -138.9 137.7 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -150.76 137.7 19.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -114.99 165.52 12.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.7 115.15 5.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 140.85 43.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.26 . . . . 0.0 112.353 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 t -126.01 158.92 34.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 m -93.62 144.29 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.49 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p -165.96 153.71 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.371 . . . . 0.0 110.834 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.3 p -157.54 131.09 7.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.8 165.6 20.15 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.453 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -154.24 158.08 39.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.9 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -164.32 136.26 4.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.19 173.65 37.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.9 t -165.68 149.14 7.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.2 p -162.82 128.31 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -127.93 161.85 28.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.3 t -134.91 136.19 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -140.01 140.16 36.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -174.33 147.52 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.0 p -113.67 128.9 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -84.69 146.37 27.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -111.55 108.3 17.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -47.75 124.37 10.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 157.65 59.64 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.661 2.241 . . . . 0.0 112.353 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' THR . 46.5 mttm -103.37 -52.66 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' LYS . 39.6 p 34.44 39.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -39.7 110.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -65.73 112.48 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -69.63 102.37 1.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -56.02 135.31 52.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.6 m -151.98 125.55 8.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.467 ' HB3' ' ND2' ' A' ' 49' ' ' ASN . 61.6 m-85 -107.26 135.14 49.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.2 p -81.93 137.66 35.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.4 t -67.58 145.66 54.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -100.67 32.66 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -102.34 136.97 41.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -67.87 94.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.75 35.74 1.82 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.4 t -143.53 130.3 20.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.378 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.7 p -126.63 42.04 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.02 145.62 35.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.412 ' C ' ' HG2' ' A' ' 37' ' ' GLU . 15.9 m -126.32 171.99 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' HG2' ' C ' ' A' ' 36' ' ' VAL . 55.2 mm-40 -150.95 160.65 43.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.3 mt -56.48 -44.89 81.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -94.0 -179.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.2 94.93 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.8 t -70.47 94.35 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 43.0 mm -92.15 140.56 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 53.3 t -88.09 124.64 66.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.654 0.74 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.5 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.3 Cg_endo -69.72 5.57 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.376 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.554 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 17.3 m-85 -110.37 -62.78 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.8 p -91.0 -11.76 37.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 35.0 mt-10 60.24 47.49 9.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 60.2 mttt -123.47 152.87 41.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.467 ' ND2' ' HB3' ' A' ' 26' ' ' TYR . 37.6 t30 -89.54 133.58 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 45.4 m-85 -140.81 174.4 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' HIS . 28.8 p -93.45 151.57 19.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.4 mm? -38.15 -40.81 0.53 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -63.0 -43.76 97.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' CYS . 26.1 m170 -106.25 33.42 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -76.8 -37.63 55.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.507 ' N ' ' OD2' ' A' ' 59' ' ' ASP . 2.6 t-160 -55.63 -175.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.554 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 12.2 mt-30 -95.59 -48.24 5.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -83.29 35.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.507 ' OD2' ' N ' ' A' ' 56' ' ' HIS . 54.8 p-10 -128.39 -29.63 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.485 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 3.2 p-80 -110.94 25.26 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 t70 48.59 46.64 21.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.41 ' HB2' ' NE2' ' A' ' 60' ' ' HIS . 12.2 t -43.02 113.46 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.01 -33.14 66.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.5 mmmp? -61.82 -44.92 95.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.2 mt -41.73 164.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -89.52 41.33 1.03 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -90.13 142.98 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.44 139.91 41.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.054 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -117.01 141.99 29.21 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.62 0.724 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.449 ' HG2' ' H ' ' A' ' 71' ' ' ARG . 53.5 Cg_endo -69.75 -83.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.329 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.449 ' H ' ' HG2' ' A' ' 70' ' ' PRO . 37.1 ptt85 41.82 42.96 2.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.826 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 71' ' ' ARG . 3.8 ttt -37.63 -45.43 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.9 111.03 1.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.0 150.28 27.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.3 t -113.04 149.08 33.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -66.34 159.5 26.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.949 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -157.71 147.06 19.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.49 99.04 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 87.7 t -144.89 129.4 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -164.05 118.57 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 m -81.46 -60.08 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.74 169.9 15.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.448 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 137.01 34.51 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.5 p -164.2 137.83 5.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.3 m -129.79 142.67 50.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.505 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -169.16 164.99 11.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.918 0.389 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.4 p -125.53 168.39 13.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.53 111.82 0.9 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.453 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.3 p -57.54 156.59 7.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.9 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 m -104.0 -52.14 3.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.42 154.33 8.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.8 m -144.07 118.76 9.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.795 0.331 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.1 p -127.35 135.45 50.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -135.24 177.08 8.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.7 p -172.73 128.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.97 164.88 12.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.0 t -122.01 114.34 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 15' ' ' LYS . 88.8 t -80.4 137.51 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' N ' HG11 ' A' ' 14' ' ' VAL . 8.9 mtpm? -139.92 144.13 36.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -164.4 124.46 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -146.16 123.56 6.07 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.67 169.23 19.29 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 20' ' ' THR . 17.1 mmtp -83.43 178.17 8.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 19' ' ' LYS . 92.9 m -33.97 108.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.177 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -87.3 71.16 10.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -148.33 175.37 11.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -60.42 159.22 10.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -62.15 127.68 32.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 94.4 p -133.74 127.11 32.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.467 ' CG ' ' HB3' ' A' ' 40' ' ' ALA . 67.1 m-85 -111.88 120.73 42.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.7 m -74.48 134.54 42.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.7 t -64.24 132.88 51.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.69 35.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.488 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 24.9 t80 -104.7 152.15 22.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.488 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 34.1 tttt -70.94 100.16 1.91 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.86 41.89 2.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.7 t -160.16 128.52 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.935 0.398 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -124.57 -9.02 7.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -47.71 152.06 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.823 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.414 HG13 ' C ' ' A' ' 26' ' ' TYR . 14.4 m -125.29 171.38 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -147.12 156.4 42.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -53.9 -43.03 69.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.4 m -101.1 177.74 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.467 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . . . -121.17 112.81 19.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.8 t -90.03 91.84 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.444 HD11 ' CA ' ' A' ' 49' ' ' ASN . 36.9 mm -86.15 144.71 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.42 ' N ' HG23 ' A' ' 42' ' ' ILE . 53.6 t -96.7 126.29 43.67 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.681 0.753 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.495 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.9 Cg_endo -69.79 5.6 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.64 2.227 . . . . 0.0 112.366 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.533 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 20.1 m-85 -109.76 -64.74 1.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.7 p -88.26 -13.55 40.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 62.51 47.27 5.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 51.0 mttt -128.43 154.14 46.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.444 ' CA ' HD11 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -92.17 131.88 37.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 30.9 m-85 -134.54 170.1 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 54' ' ' HIS . 16.2 p -86.8 146.08 26.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.5 mm? -36.1 -42.25 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -60.84 -42.48 97.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 51' ' ' CYS . 25.1 m170 -111.12 39.98 2.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.5 ptt85 -78.09 -42.11 33.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -57.96 163.34 2.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.533 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 36.4 mt-30 -65.98 -73.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.1 m -45.82 -39.71 8.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.77 -48.01 30.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.519 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.1 p-80 -99.67 33.72 2.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' HIS . 1.1 p30 38.01 49.42 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.7 t -42.26 116.95 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 4.7 pt-20 -62.77 -37.35 86.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 1.4 mmmp? -51.82 -38.89 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 64' ' ' LYS . 41.2 mt -48.06 177.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -76.3 47.29 0.46 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.3 m -98.31 155.31 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.93 113.2 6.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.463 ' C ' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -143.75 110.39 5.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.697 . . . . 0.0 110.875 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 71' ' ' ARG . 53.8 Cg_endo -69.77 12.54 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.268 . . . . 0.0 112.382 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.463 ' H ' ' C ' ' A' ' 69' ' ' LYS . 44.5 mtm180 -37.06 122.28 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 29.2 mtt -106.48 178.16 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 53.7 42.72 31.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.45 144.56 33.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.071 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.7 p -48.9 164.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -72.31 151.05 43.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 78' ' ' LEU . 20.2 tptm -38.03 153.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.419 ' N ' ' HG3' ' A' ' 77' ' ' LYS . 2.6 pt? -97.55 143.19 28.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.8 t -69.91 -50.51 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -53.72 95.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.3 t -138.17 164.63 28.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 179.28 169.8 40.25 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -177.55 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.323 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.5 t -91.65 132.53 36.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 t -86.4 170.19 12.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.46 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m -156.84 147.32 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 p -85.13 177.18 7.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.87 131.35 7.5 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.528 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -112.25 174.75 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.374 . . . . 0.0 110.823 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -138.96 150.53 45.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.06 162.75 11.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.8 t -160.52 123.81 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.4 m -121.1 81.81 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -170.47 168.48 7.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -162.48 145.02 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -115.66 168.45 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.4 p -144.76 144.67 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.8 t -95.61 121.56 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -130.84 81.06 1.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' ARG . 10.3 pt-20 -72.61 116.82 13.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 16' ' ' GLU . 25.4 mmt180 -36.61 152.02 0.1 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.657 0.741 . . . . 0.0 110.832 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 126.61 13.49 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -110.42 86.91 2.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.6 p -119.76 92.48 3.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -133.99 41.98 2.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -129.14 172.43 11.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -109.6 127.08 54.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.2 167.01 22.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.4 p -137.42 128.65 27.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.822 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.516 ' CE1' ' HB1' ' A' ' 40' ' ' ALA . 22.3 m-85 -125.96 135.58 52.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.936 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.4 m -85.15 143.4 28.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.6 t -63.58 143.35 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.485 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 4.3 t -104.03 33.21 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.493 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 48.1 t80 -101.19 162.08 13.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.493 ' N ' ' CG ' ' A' ' 30' ' ' PHE . 77.3 tttt -86.18 91.05 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.58 37.35 1.31 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.9 t -148.27 131.38 16.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.8 p -127.94 36.0 4.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -100.87 153.24 19.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.418 ' O ' ' CD ' ' A' ' 37' ' ' GLU . 30.0 m -124.96 -177.04 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.418 ' CD ' ' O ' ' A' ' 36' ' ' VAL . 67.9 mm-40 -157.95 160.4 37.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.14 -47.66 77.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -98.66 175.41 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.516 ' HB1' ' CE1' ' A' ' 26' ' ' TYR . . . -116.0 104.38 11.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.2 t -80.02 95.79 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.1 mm -89.22 138.75 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 52.7 t -89.14 126.17 59.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.663 0.744 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.528 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.8 Cg_endo -69.75 5.67 1.61 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.715 2.277 . . . . 0.0 112.357 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.548 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 18.8 m-85 -111.27 -63.47 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.6 p -90.31 -7.64 52.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 7.8 mt-10 55.86 43.11 28.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 72.8 mttt -120.46 159.06 25.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -94.11 132.61 38.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 46.6 m-85 -137.68 177.07 8.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 54' ' ' HIS . 17.0 p -98.12 146.96 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -38.05 -40.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -62.46 -40.93 98.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 51' ' ' CYS . 31.0 m170 -114.12 37.41 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.401 ' CG ' ' N ' ' A' ' 56' ' ' HIS . 21.6 ptt-85 -74.04 -47.39 37.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.401 ' N ' ' CG ' ' A' ' 55' ' ' ARG . 30.7 t-80 -51.79 161.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.548 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 38.4 mt-30 -64.61 -74.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.1 p -44.72 -40.67 6.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.21 -52.23 16.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.526 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.3 p-80 -94.81 25.23 4.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.1 t0 44.06 51.6 7.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.3 t -43.53 112.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.69 -34.22 74.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 2.5 mmmp? -53.93 -43.69 69.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.9 mt -39.73 160.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -122.17 72.77 1.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 68' ' ' ALA . 98.2 t -106.98 134.49 48.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . -35.67 104.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.457 ' C ' ' H ' ' A' ' 71' ' ' ARG . 29.2 mttt -116.07 160.45 35.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.556 0.693 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 71' ' ' ARG . 53.8 Cg_endo -69.76 11.77 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.457 ' H ' ' C ' ' A' ' 69' ' ' LYS . 59.5 mtm180 -42.61 167.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.6 mtp -44.21 167.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -129.1 153.35 47.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 67.43 42.27 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.4 m -55.98 120.2 7.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -58.01 115.44 2.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -169.88 147.46 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -57.93 109.45 0.73 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.4 m -146.36 131.53 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -158.46 130.76 6.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.2 m -99.44 178.15 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.55 -166.31 36.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.72 14.99 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.663 2.242 . . . . 0.0 112.34 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.6 p -100.99 175.61 5.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.796 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.9 t -107.48 152.06 24.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.468 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 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 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -143.94 168.4 20.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.379 . . . . 0.0 110.841 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.0 p -126.59 177.51 6.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.52 73.76 0.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 t -165.03 151.39 10.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.897 0.38 . . . . 0.0 110.844 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 p -75.9 164.97 25.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.37 166.67 49.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.1 p -135.58 149.08 49.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.348 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.5 p -126.26 134.23 51.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -92.88 164.56 13.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.0 p -161.1 126.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -169.97 151.51 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.5 p -173.83 142.49 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.8 m -80.54 146.74 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -91.39 138.36 31.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -59.54 128.2 35.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -85.17 121.28 73.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.7 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 119.42 6.37 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -75.77 114.68 14.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.8 p -100.59 172.07 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -128.93 158.29 39.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -108.69 100.72 9.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -130.81 118.54 20.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.83 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -85.6 151.43 23.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.0 p -137.87 126.59 23.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.414 ' CG ' ' HB1' ' A' ' 40' ' ' ALA . 52.2 m-85 -112.62 141.13 46.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.5 p -90.69 130.46 36.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.6 t -56.14 145.7 25.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 t -105.66 36.6 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -106.29 152.0 24.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -77.31 96.29 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.39 41.36 1.64 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.7 t -145.66 127.33 15.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.939 0.399 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.4 p -124.97 39.89 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.122 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -108.54 150.53 27.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.496 ' C ' ' CD ' ' A' ' 37' ' ' GLU . 22.9 m -123.06 165.52 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.496 ' CD ' ' C ' ' A' ' 36' ' ' VAL . 14.4 mp0 -144.83 151.75 39.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mt -54.32 -47.61 72.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -90.22 176.63 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HB1' ' CG ' ' A' ' 26' ' ' TYR . . . -123.43 96.79 5.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.5 t -76.39 100.17 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.09 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.1 mm -93.84 143.56 11.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 48.3 t -94.17 126.52 48.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.721 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.503 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.0 Cg_endo -69.76 5.94 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.731 2.288 . . . . 0.0 112.349 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.548 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 18.1 m-85 -112.16 -63.13 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.8 p -90.87 -7.89 50.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 27.9 mt-10 54.3 46.39 25.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 30.5 mttm -122.74 153.5 39.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -90.4 129.77 36.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 44.4 m-85 -133.31 175.18 9.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 54' ' ' HIS . 21.7 p -94.93 146.64 24.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.6 mm? -34.96 -42.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -60.53 -45.56 93.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 51' ' ' CYS . 26.9 m170 -106.61 35.89 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -77.45 -43.19 33.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -57.54 158.02 6.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.548 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 12.2 mt-30 -65.25 -52.07 56.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.3 m -82.18 39.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -134.63 -35.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -103.52 22.4 14.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.823 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 52.4 48.69 22.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.8 t -43.75 117.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.46 ' HG2' ' N ' ' A' ' 64' ' ' LYS . 21.1 pm0 -66.63 -30.94 71.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.46 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 2.2 mmmp? -61.24 -43.5 98.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.5 mt -41.62 159.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -79.72 46.0 0.74 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.3 m -113.81 77.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -123.14 97.43 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.4 127.43 80.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.614 0.721 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 5.96 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 72' ' ' MET . 29.6 mtm180 -94.45 150.63 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 71' ' ' ARG . 7.8 mtt -37.36 146.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -132.64 146.24 51.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.82 87.16 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.0 m -120.73 100.48 7.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -117.3 142.97 46.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -73.0 137.76 45.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.484 HD23 ' N ' ' A' ' 78' ' ' LEU . 4.0 mm? -55.15 102.64 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.2 p -47.93 -42.5 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -92.79 111.01 22.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.4 t -173.5 131.14 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.93 72.81 0.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -169.59 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.9 t -51.55 104.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.1 t 46.47 48.56 13.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.541 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.635 ' CE2' ' HB2' ' A' ' 40' ' ' ALA . 36.5 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.897 0.38 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.879 ' HA ' HG12 ' A' ' 36' ' ' VAL . 60.6 p -85.11 146.17 27.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.9 t -69.29 141.23 54.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.812 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.879 HG12 ' HA ' ' A' ' 27' ' ' SER . 32.0 m -128.15 170.39 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -150.5 159.06 44.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -56.87 -46.47 81.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.8 m -88.82 170.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.635 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . . . -118.33 95.38 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.641 HG11 ' HB2' ' A' ' 55' ' ' ARG . 97.4 t -74.16 101.92 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' A' ' 49' ' ' ASN . 37.9 mm -96.32 143.18 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 42.1 t -92.44 124.91 57.91 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.531 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.71 6.18 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.362 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.542 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 18.7 m-85 -111.03 -63.24 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.3 p -90.78 -7.73 51.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 37.9 mt-10 55.46 50.27 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 42.8 mttm -128.99 155.71 44.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.5 ' HA ' HD13 ' A' ' 42' ' ' ILE . 14.3 t30 -90.93 133.38 35.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 44.4 m-85 -138.61 173.63 11.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' HIS . 17.6 p -93.13 152.01 19.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 52' ' ' LEU . 3.3 mm? -43.74 -39.42 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -65.0 -33.71 76.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 51' ' ' CYS . 39.4 m170 -119.97 35.92 4.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.641 ' HB2' HG11 ' A' ' 41' ' ' VAL . 14.0 ptt180 -74.97 -35.9 62.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.436 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 2.5 m170 -59.58 160.55 6.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.542 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 37.6 mt-30 -64.49 -75.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.1 t -49.99 -37.26 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.5 -50.89 29.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.523 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.5 p-80 -93.67 18.55 9.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.8 t70 55.84 52.44 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.2 t -44.28 124.54 4.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -67.4 -30.23 69.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.432 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 16.5 mmmt -66.53 -44.22 83.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LYS . 15.6 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.626 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 48.3 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.887 0.375 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.2 p -85.69 130.12 34.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.3 t -43.19 166.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 3.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.878 0.371 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.453 ' C ' ' CD ' ' A' ' 37' ' ' GLU . 17.3 m -118.58 162.27 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.114 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.453 ' CD ' ' C ' ' A' ' 36' ' ' VAL . 12.1 mp0 -145.91 145.52 30.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 mt -48.12 -47.87 34.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -97.28 178.7 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.626 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -119.45 98.05 5.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.513 HG11 ' HB2' ' A' ' 55' ' ' ARG . 86.3 t -75.85 95.86 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.3 mm -87.98 142.12 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 53.9 t -95.11 125.81 49.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.617 0.723 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.536 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.2 Cg_endo -69.72 5.89 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.536 ' CE1' ' HG2' ' A' ' 44' ' ' PRO . 17.9 m-85 -110.68 -60.91 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.1 p -93.47 -9.77 37.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 47.7 mt-10 56.95 43.84 23.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 25.9 mttp -122.16 152.96 39.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.473 ' OD1' ' HB1' ' A' ' 40' ' ' ALA . 19.8 t30 -87.71 128.57 35.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 48.4 m-85 -132.96 172.37 12.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' HIS . 24.7 p -93.3 149.45 21.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.5 mm? -37.33 -40.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -62.55 -42.59 99.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 51' ' ' CYS . 41.2 m170 -108.11 36.85 2.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.513 ' HB2' HG11 ' A' ' 41' ' ' VAL . 25.6 ptt180 -75.29 -39.99 59.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.437 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 20.2 m170 -63.72 160.67 16.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.535 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 38.7 mt-30 -64.34 -69.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.2 t -49.05 -40.95 33.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.437 ' CG ' ' HB2' ' A' ' 56' ' ' HIS . 11.1 m-20 -47.55 -52.23 18.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.0 p-80 -95.07 26.26 3.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 40.89 54.27 3.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.6 t -43.71 116.21 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -61.68 -30.25 70.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 27.9 mmmt -57.8 -44.31 86.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.3 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.918 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CD2' ' HB2' ' A' ' 40' ' ' ALA . 90.7 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.829 0.347 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.474 ' HA ' HG12 ' A' ' 36' ' ' VAL . 24.5 p -81.25 145.94 30.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.6 t -73.98 143.31 45.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 49' ' ' ASN . 4.5 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 27' ' ' SER . 25.0 m -137.55 168.36 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -155.73 154.03 30.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.0 mt -57.01 -39.99 75.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.4 m -102.09 167.53 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.528 ' HB2' ' CD2' ' A' ' 26' ' ' TYR . . . -107.49 93.34 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.566 HG11 ' HB2' ' A' ' 55' ' ' ARG . 91.2 t -72.6 96.96 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 49' ' ' ASN . 33.1 mm -91.47 137.54 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 45.9 t -87.33 123.78 69.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.727 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.524 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.4 Cg_endo -69.82 5.86 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.318 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.625 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 21.7 m-85 -110.33 -60.33 1.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.3 p -94.57 -6.05 44.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 26.3 mt-10 55.47 46.4 23.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 22.3 mttp -124.22 153.01 42.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.492 ' HA ' HD13 ' A' ' 42' ' ' ILE . 32.4 t30 -89.77 130.15 36.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 57.5 m-85 -135.34 174.73 10.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' HIS . 27.8 p -92.96 150.68 20.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -38.4 -39.95 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -64.87 -40.72 95.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' CYS . 62.5 m170 -106.83 31.27 5.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.566 ' HB2' HG11 ' A' ' 41' ' ' VAL . 11.9 ptt180 -70.41 -35.38 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.416 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 63.9 m80 -67.17 166.65 13.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.625 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 41.7 mt-30 -73.29 -71.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -47.55 -39.43 16.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -47.31 -52.39 16.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.508 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 4.0 p-80 -94.44 21.96 6.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 51.34 51.23 17.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.8 t -45.6 121.71 3.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 12.8 pt-20 -64.96 -43.5 92.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.9 mmmp? -47.33 -37.86 11.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.1 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.705 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 63.2 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.853 0.359 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.506 ' HA ' HG12 ' A' ' 36' ' ' VAL . 74.0 m -76.68 129.14 35.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -48.95 167.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.418 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 26.6 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 27' ' ' SER . 31.2 m -115.22 159.78 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.495 ' CD ' ' C ' ' A' ' 36' ' ' VAL . 13.2 mp0 -140.13 152.51 46.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 mt -50.52 -45.06 56.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.8 m -102.24 175.78 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.705 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -118.57 109.39 16.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.071 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.827 HG11 ' HB2' ' A' ' 55' ' ' ARG . 91.4 t -86.19 95.2 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.451 HD13 ' CA ' ' A' ' 49' ' ' ASN . 25.8 mm -84.76 143.93 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 43.0 t -98.63 126.41 39.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.517 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.4 Cg_endo -69.76 5.61 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.626 2.218 . . . . 0.0 112.358 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.552 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 16.9 m-85 -110.69 -63.23 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.8 p -90.82 -6.54 54.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 2.9 mm-40 54.53 46.8 24.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 51.6 mttm -127.22 150.47 49.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.451 ' CA ' HD13 ' A' ' 42' ' ' ILE . 1.6 p30 -89.78 128.8 36.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 33.0 m-85 -129.93 171.95 12.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 54' ' ' HIS . 24.8 p -87.53 146.77 25.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.5 mm? -35.67 -41.45 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -61.89 -44.66 96.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 51' ' ' CYS . 42.8 m170 -106.44 33.92 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.827 ' HB2' HG11 ' A' ' 41' ' ' VAL . 6.7 ptm180 -72.57 -44.89 61.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.467 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 7.2 t-80 -57.45 165.35 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.552 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 34.9 mt-30 -68.23 -74.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 t -45.51 -40.65 8.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -46.45 -51.94 14.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.496 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 2.8 p-80 -94.6 27.27 3.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 40.5 53.71 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.2 t -44.44 119.05 1.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -62.22 -37.6 85.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.434 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 18.9 mmmt -53.64 -42.49 67.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.687 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 80.8 m-85 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.889 0.375 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.817 ' HA ' HG12 ' A' ' 36' ' ' VAL . 2.3 m -67.31 141.77 57.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.5 t -71.43 141.06 50.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.534 ' OG ' ' CE2' ' A' ' 50' ' ' PHE . 60.8 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.881 0.372 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.817 HG12 ' HA ' ' A' ' 27' ' ' SER . 30.2 m -127.17 168.88 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' OE2' HD23 ' A' ' 52' ' ' LEU . 5.3 mm-40 -145.96 157.11 43.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mt -56.0 -41.89 75.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.8 m -94.99 168.2 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.687 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -114.77 104.03 11.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.664 HG11 ' HB2' ' A' ' 55' ' ' ARG . 93.4 t -83.02 95.1 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 34.0 mm -87.8 143.16 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 49.7 t -96.5 125.99 45.21 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.644 0.735 . . . . 0.0 110.895 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.533 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.0 Cg_endo -69.8 6.17 1.43 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.647 2.231 . . . . 0.0 112.311 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.536 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 19.8 m-85 -111.02 -63.6 1.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.9 p -90.44 -7.79 52.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 35.9 mt-10 55.16 45.33 26.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 50.5 mttm -123.36 158.73 30.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.533 ' OD1' ' HB1' ' A' ' 40' ' ' ALA . 6.5 t30 -95.18 124.88 39.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 26.5 m-85 -127.83 173.95 9.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 54' ' ' HIS . 18.6 p -94.74 147.54 23.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.832 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.5 mm? -36.35 -40.71 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -62.11 -43.34 99.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 51' ' ' CYS . 25.2 m170 -111.7 40.74 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.664 ' HB2' HG11 ' A' ' 41' ' ' VAL . 33.4 ptt180 -77.41 -42.79 34.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.41 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 94.4 m-70 -58.14 162.58 3.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.536 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 36.2 mt-30 -64.92 -76.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.0 m -45.46 -38.71 6.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.41 ' CG ' ' HB2' ' A' ' 56' ' ' HIS . 8.3 m-20 -48.67 -48.96 39.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.485 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 2.7 p-80 -98.54 33.17 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 39.94 48.23 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.6 t -43.52 110.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -55.32 -48.02 74.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 29.1 mmmt -40.06 -45.11 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.3 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.898 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.705 ' CE2' ' HB2' ' A' ' 40' ' ' ALA . 83.6 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.903 0.382 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 96.0 p -74.86 127.33 32.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 38.7 t -50.85 136.94 21.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.889 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.87 0.367 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.3 m -115.27 176.64 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -151.9 151.53 31.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.55 -41.63 63.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -105.81 -179.56 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.127 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.705 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . . . -116.63 113.09 22.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.624 HG11 ' HB2' ' A' ' 55' ' ' ARG . 92.0 t -91.94 89.24 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.48 HD13 ' CA ' ' A' ' 49' ' ' ASN . 26.7 mm -84.29 140.38 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.1 t -93.4 125.19 55.09 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.63 0.729 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.507 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.7 Cg_endo -69.77 5.27 1.77 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.585 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 15.4 m-85 -108.9 -62.14 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.3 p -92.11 -7.67 47.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 57.42 49.22 13.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 28.4 mttp -132.71 152.71 51.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.48 ' CA ' HD13 ' A' ' 42' ' ' ILE . 1.9 p30 -92.11 132.92 36.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 41.5 m-85 -134.3 171.62 14.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 54' ' ' HIS . 20.3 p -86.01 149.4 25.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -41.63 -38.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -64.61 -37.41 87.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 51' ' ' CYS . 38.9 m170 -114.78 29.84 7.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.624 ' HB2' HG11 ' A' ' 41' ' ' VAL . 29.2 ptt180 -66.2 -42.49 88.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -56.3 168.37 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.585 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 39.6 mt-30 -73.36 -73.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.1 m -46.43 -36.9 6.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -49.46 -52.25 30.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.497 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.2 p-80 -93.8 17.88 11.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 55.6 51.5 12.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.6 t -44.29 100.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -46.28 -33.28 3.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.6 mmmp? -59.25 -44.44 92.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.843 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 70.4 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.513 ' HA ' HG12 ' A' ' 36' ' ' VAL . 92.7 p -93.7 129.08 40.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.0 t -52.07 138.32 25.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.83 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.82 0.343 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 27' ' ' SER . 29.1 m -127.24 167.45 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -146.29 157.41 43.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -49.54 -44.11 46.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.2 m -108.82 -178.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.843 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -120.43 110.56 16.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.774 HG11 ' HB2' ' A' ' 55' ' ' ARG . 97.2 t -77.91 90.16 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.425 HD13 ' CA ' ' A' ' 49' ' ' ASN . 32.1 mm -78.83 134.13 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 41.9 t -85.95 125.76 67.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.601 0.715 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.543 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.2 Cg_endo -69.68 6.26 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.559 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 22.2 m-85 -111.82 -60.61 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.976 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.3 p -94.91 -4.81 46.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 5.8 mm-40 55.24 48.44 19.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 36.1 mttm -127.26 149.25 50.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.425 ' CA ' HD13 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -88.0 132.34 34.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 52.6 m-85 -136.26 175.97 9.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.5 p -92.64 152.36 19.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -45.36 -38.03 5.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -66.85 -31.3 71.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -122.44 34.91 5.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.774 ' HB2' HG11 ' A' ' 41' ' ' VAL . 21.9 ptt180 -75.23 -36.98 61.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.421 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 4.6 m170 -57.88 163.62 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.559 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 37.6 mt-30 -68.34 -73.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.4 m -49.97 -37.78 33.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.88 -48.2 51.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 2.2 p-80 -95.47 20.56 9.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.7 t70 50.97 54.31 11.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.6 t -47.66 126.87 10.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.9 pm0 -73.94 -23.55 59.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.436 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.9 mmmp? -67.65 -41.72 83.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.2 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.906 0.384 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.671 ' HA ' HG12 ' A' ' 36' ' ' VAL . 54.3 p -78.84 133.17 37.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.7 t -61.22 140.4 57.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.829 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.671 HG12 ' HA ' ' A' ' 27' ' ' SER . 29.9 m -128.68 169.96 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -145.47 155.04 42.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mt -55.3 -39.26 69.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.6 m -103.13 171.06 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.48 112.38 22.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.881 HG11 ' HB2' ' A' ' 55' ' ' ARG . 97.5 t -89.5 90.79 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.7 mm -82.08 139.66 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 46.3 t -92.25 125.27 57.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.5 Cg_endo -69.71 6.37 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.532 ' CE1' ' HG2' ' A' ' 44' ' ' PRO . 24.7 m-85 -111.81 -61.54 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.8 p -93.52 -5.05 49.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 6.5 mt-10 54.84 45.63 26.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 45.2 mttm -123.65 153.54 40.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.89 131.0 39.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 37.9 m-85 -132.45 174.97 9.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 54' ' ' HIS . 27.7 p -90.97 146.13 24.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.2 mm? -36.17 -39.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -63.28 -44.48 94.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' CYS . 11.0 m-70 -107.25 34.31 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.881 ' HB2' HG11 ' A' ' 41' ' ' VAL . 23.5 ptt180 -74.59 -42.12 59.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.415 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 57.0 m-70 -55.34 167.44 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.681 ' HB3' HD11 ' A' ' 65' ' ' LEU . 19.3 mt-30 -75.76 -49.18 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.2 t -82.56 38.7 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -133.74 -34.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.462 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 2.4 p-80 -104.31 23.49 13.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.7 t70 50.14 50.76 18.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.411 ' HB3' HD12 ' A' ' 65' ' ' LEU . 9.0 t -47.56 115.15 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 64' ' ' LYS . 23.3 pm0 -63.88 -28.92 70.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.414 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 48.6 mmtt -68.71 -44.57 73.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.681 HD11 ' HB3' ' A' ' 57' ' ' GLN . 12.4 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.55 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 75.7 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.869 0.366 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.474 ' HA ' HG12 ' A' ' 36' ' ' VAL . 37.4 m -89.47 133.45 34.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.2 t -57.03 136.96 56.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.839 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.813 0.34 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 27' ' ' SER . 29.6 m -119.87 171.74 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -152.22 147.25 26.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -48.76 -43.04 37.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.44 167.17 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.55 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -109.88 109.01 19.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.069 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.652 HG11 ' HB2' ' A' ' 55' ' ' ARG . 94.4 t -83.17 91.66 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.528 HD13 ' CA ' ' A' ' 49' ' ' ASN . 33.9 mm -83.99 141.41 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 46.9 t -90.17 126.5 56.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.587 0.708 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.551 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.0 Cg_endo -69.77 6.64 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.639 2.226 . . . . 0.0 112.388 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.557 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 22.3 m-85 -112.56 -63.75 1.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.2 p -89.95 -12.02 40.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 22.0 mt-10 61.3 50.35 4.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 24.2 mttm -128.8 144.94 51.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.528 ' CA ' HD13 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -84.8 131.27 34.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.829 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 61.5 m-85 -135.0 175.89 9.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 54' ' ' HIS . 19.2 p -93.22 146.12 23.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -37.98 -41.49 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -61.98 -40.03 94.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 51' ' ' CYS . 34.8 m170 -113.81 38.16 3.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.652 ' HB2' HG11 ' A' ' 41' ' ' VAL . 11.8 ptt180 -78.83 -37.12 41.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -53.3 167.78 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 17.5 mt-30 -78.81 -47.38 16.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.4 m -81.06 18.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.83 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.0 -38.27 5.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -104.43 29.47 6.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.9 t70 45.49 48.71 10.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 10.6 t -41.38 130.37 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -78.05 -23.97 47.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -87.38 26.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.0 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.605 ' CE2' ' HB2' ' A' ' 40' ' ' ALA . 87.2 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.88 0.372 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.413 ' HA ' HG12 ' A' ' 36' ' ' VAL . 83.9 p -88.82 130.04 35.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.0 t -53.53 144.43 17.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.473 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 6.7 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.894 0.378 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' A' ' 27' ' ' SER . 27.9 m -135.25 163.57 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -150.24 151.62 33.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.35 -32.1 70.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.2 m -105.54 163.9 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.605 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . . . -110.46 103.8 12.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.85 HG11 ' HB2' ' A' ' 55' ' ' ARG . 95.6 t -84.39 88.19 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.463 HD13 ' CA ' ' A' ' 49' ' ' ASN . 16.3 mm -80.65 138.18 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.6 t -91.13 124.43 61.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.624 0.725 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.495 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.9 Cg_endo -69.82 5.44 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.583 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 21.7 m-85 -109.23 -61.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.7 p -92.34 -8.97 43.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 60.03 44.92 12.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 66.1 mttt -126.83 153.01 46.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.463 ' CA ' HD13 ' A' ' 42' ' ' ILE . 1.5 p30 -94.76 130.33 41.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 24.1 m-85 -132.31 170.32 15.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 54' ' ' HIS . 25.1 p -82.14 146.87 29.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.6 mm? -35.85 -40.6 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -62.87 -44.76 95.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.505 ' N ' ' O ' ' A' ' 51' ' ' CYS . 6.1 m-70 -103.92 29.05 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.85 ' HB2' HG11 ' A' ' 41' ' ' VAL . 5.7 ptm180 -68.06 -43.8 77.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.448 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 4.5 m-70 -60.31 166.54 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.583 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 35.6 mt-30 -70.14 -74.4 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.8 m -45.24 -36.66 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.62 -52.26 49.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.48 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.1 p-80 -94.5 23.53 5.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 45.18 53.66 7.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 10.5 t -45.12 111.49 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -56.46 -36.64 69.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -52.27 -46.28 65.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' A' ' 57' ' ' GLN . 66.3 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.556 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 81.1 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.891 0.377 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.824 ' HA ' HG12 ' A' ' 36' ' ' VAL . 39.8 m -68.8 131.04 44.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.2 t -57.21 144.36 35.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.581 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 5.9 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.873 0.368 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.824 HG12 ' HA ' ' A' ' 27' ' ' SER . 27.2 m -139.87 165.96 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -152.0 154.53 36.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -56.45 -42.66 78.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.4 m -92.9 176.69 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.556 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -122.01 103.78 9.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.963 HG11 ' HB2' ' A' ' 55' ' ' ARG . 84.9 t -85.71 94.72 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.464 HD13 ' CA ' ' A' ' 49' ' ' ASN . 41.7 mm -87.93 146.68 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 48.5 t -98.43 127.21 36.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.718 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.534 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.9 Cg_endo -69.73 6.37 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.647 2.231 . . . . 0.0 112.401 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.565 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 21.2 m-85 -112.26 -64.0 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.923 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.1 p -89.48 -8.0 53.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 33.8 mt-10 55.5 48.8 18.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.586 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 66.1 mttt -128.82 151.71 49.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.464 ' CA ' HD13 ' A' ' 42' ' ' ILE . 1.3 p30 -91.9 128.42 37.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 26.9 m-85 -129.79 168.05 17.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 54' ' ' HIS . 22.2 p -80.6 146.77 31.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.4 mm? -37.0 -39.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -63.02 -42.73 99.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.506 ' N ' ' O ' ' A' ' 51' ' ' CYS . 41.7 m170 -108.25 33.72 3.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.963 ' HB2' HG11 ' A' ' 41' ' ' VAL . 31.2 ptt-85 -75.38 -36.41 60.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -62.75 169.66 3.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.586 ' HB3' HD11 ' A' ' 65' ' ' LEU . 13.0 mt-30 -77.92 -48.06 17.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 p -80.69 39.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -134.26 -38.93 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.416 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 2.3 p-80 -100.74 29.78 4.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 p30 43.25 46.83 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.7 t -44.24 118.68 1.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 8.3 pt-20 -67.03 -38.52 86.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 40.9 mmtm -57.01 -45.13 83.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 57' ' ' GLN . 15.2 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.613 ' CE1' ' HB2' ' A' ' 40' ' ' ALA . 52.2 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.871 0.367 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.421 ' HA ' HG12 ' A' ' 36' ' ' VAL . 3.6 m -84.97 131.17 34.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 t -49.96 142.18 9.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.814 -179.807 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 27' ' ' SER . 18.8 m -117.15 177.9 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -154.02 158.26 40.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 mt -59.39 -44.3 92.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.5 m -102.58 174.6 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.613 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . . . -113.76 111.66 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.805 HG11 ' HB2' ' A' ' 55' ' ' ARG . 74.6 t -87.79 89.87 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.41 HD13 ' CA ' ' A' ' 49' ' ' ASN . 33.5 mm -81.85 141.21 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 48.5 t -94.02 125.88 51.14 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.666 0.746 . . . . 0.0 110.832 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.528 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.77 5.81 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.633 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 23.2 m-85 -111.33 -61.95 1.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.6 p -92.36 -5.54 51.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 41.9 mt-10 53.99 49.24 19.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 48.5 mttm -129.78 153.22 48.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.41 ' CA ' HD13 ' A' ' 42' ' ' ILE . 1.3 p30 -91.24 133.9 35.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.532 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 39.3 m-85 -136.25 170.77 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' HIS . 18.9 p -86.29 147.17 26.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.1 mm? -37.63 -42.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -61.31 -40.68 95.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' CYS . 41.8 m170 -111.58 36.82 3.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.805 ' HB2' HG11 ' A' ' 41' ' ' VAL . 20.6 ptt-85 -74.16 -45.38 48.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.445 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 6.4 t-80 -55.07 165.74 0.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.806 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.633 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 39.0 mt-30 -68.13 -73.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.2 m -48.56 -37.71 18.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -47.91 -51.55 22.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.508 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.8 p-80 -94.34 21.63 6.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 50.6 53.47 12.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.1 t -41.76 121.79 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.4 pm0 -67.26 -25.62 66.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' LEU . 27.7 mmmt -68.45 -45.48 72.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' LYS . 27.3 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.78 ' CE2' ' HB2' ' A' ' 40' ' ' ALA . 31.3 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.909 0.385 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.64 ' HA ' HG12 ' A' ' 36' ' ' VAL . 60.1 p -74.87 134.68 41.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.885 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.8 t -56.41 134.32 53.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.833 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.849 0.357 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.64 HG12 ' HA ' ' A' ' 27' ' ' SER . 27.6 m -126.74 172.36 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -150.77 160.72 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mt -65.6 -40.47 92.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.4 m -96.62 156.6 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.78 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . . . -104.86 107.0 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.559 HG11 ' HB2' ' A' ' 55' ' ' ARG . 93.0 t -88.9 93.48 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.491 HD13 ' CA ' ' A' ' 49' ' ' ASN . 31.0 mm -86.07 144.39 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 50.2 t -96.94 125.76 45.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.645 0.736 . . . . 0.0 110.879 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.497 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.75 4.88 1.93 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.746 2.297 . . . . 0.0 112.339 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.543 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 11.8 m-85 -108.7 -61.53 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.2 p -92.78 -8.44 43.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 13.4 mt-10 57.76 47.91 14.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 36.0 mttm -130.49 153.65 48.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.491 ' CA ' HD13 ' A' ' 42' ' ' ILE . 1.4 p30 -91.11 129.81 37.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 33.8 m-85 -132.19 170.79 14.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' HIS . 16.5 p -86.99 151.12 23.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -43.46 -40.09 3.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -64.19 -33.74 76.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 51' ' ' CYS . 44.5 m170 -119.11 33.72 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.559 ' HB2' HG11 ' A' ' 41' ' ' VAL . 19.8 ptt180 -71.59 -41.95 68.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.446 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 41.7 m170 -56.36 166.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.543 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 31.1 mt-30 -70.21 -74.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.5 p -46.11 -41.03 11.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -47.04 -51.37 17.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.492 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 2.7 p-80 -95.49 25.78 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.6 t0 45.59 51.17 10.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.0 t -44.65 102.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -44.81 -39.97 5.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 29.3 mmmt -49.47 -43.45 45.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 57' ' ' GLN . 64.0 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.555 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 87.6 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.86 0.362 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.705 ' HA ' HG12 ' A' ' 36' ' ' VAL . 3.7 m -89.23 131.18 35.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.827 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.1 t -61.05 146.6 46.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.793 -179.803 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.873 0.368 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.705 HG12 ' HA ' ' A' ' 27' ' ' SER . 33.6 m -126.45 164.26 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -145.23 156.42 43.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.86 -43.29 65.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -93.13 170.95 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.555 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -121.33 92.27 3.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.845 HG11 ' HB2' ' A' ' 55' ' ' ARG . 58.1 t -69.19 101.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.112 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' A' ' 49' ' ' ASN . 44.8 mm -96.42 137.63 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 51.3 t -86.06 123.55 71.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.616 0.722 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.516 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.8 Cg_endo -69.78 6.24 1.39 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.337 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.549 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 15.7 m-85 -110.81 -59.0 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.959 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.2 p -96.34 -10.03 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 32.3 mt-10 58.29 48.3 12.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 27.1 mttm -123.22 147.16 47.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.506 ' OD1' ' HB1' ' A' ' 40' ' ' ALA . 29.1 t30 -86.27 129.16 34.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 51.5 m-85 -134.25 176.43 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 54' ' ' HIS . 29.9 p -94.46 148.0 22.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.2 mm? -35.26 -40.45 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -63.2 -46.41 87.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' CYS . 25.6 m170 -103.02 31.87 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.845 ' HB2' HG11 ' A' ' 41' ' ' VAL . 17.3 ptt85 -73.4 -36.58 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.501 ' N ' ' OD2' ' A' ' 59' ' ' ASP . 39.2 m170 -56.7 -174.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.549 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 13.0 mt-30 -96.98 -48.24 5.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 t -83.48 36.78 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.501 ' OD2' ' N ' ' A' ' 56' ' ' HIS . 46.8 p-10 -127.95 -35.3 2.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.475 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 5.2 p-80 -104.78 23.07 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 61' ' ' ASP . 15.5 t0 52.02 47.95 23.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.513 ' HB3' HD12 ' A' ' 65' ' ' LEU . 13.1 t -44.15 122.74 3.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.06 -35.54 81.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.439 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.5 mmmp? -62.03 -42.89 99.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.513 HD12 ' HB3' ' A' ' 62' ' ' CYS . 12.8 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.484 ' HB3' ' ND2' ' A' ' 49' ' ' ASN . 87.2 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.9 0.381 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.4 m -79.84 134.74 36.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.3 t -52.95 157.64 1.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.582 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 44.2 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.1 t0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.881 0.372 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.2 m -148.05 165.61 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.628 ' OE1' HD23 ' A' ' 52' ' ' LEU . 77.4 mm-40 -155.5 150.23 26.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.1 -40.32 70.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.3 m -105.33 -178.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.431 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -116.87 94.04 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.489 HG11 ' HB2' ' A' ' 55' ' ' ARG . 88.1 t -76.18 96.13 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 49' ' ' ASN . 45.6 mm -90.14 138.35 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 50.3 t -86.12 125.83 67.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 110.864 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.557 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.8 6.5 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.321 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.62 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 22.2 m-85 -112.33 -63.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.5 p -90.84 -10.21 43.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 36.5 mt-10 57.77 47.91 14.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 33.5 mttt -126.24 147.95 49.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.484 ' ND2' ' HB3' ' A' ' 26' ' ' TYR . 21.5 t30 -84.82 123.78 30.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 29' ' ' SER . 56.0 m-85 -127.22 175.02 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 54' ' ' HIS . 21.7 p -92.89 146.65 23.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.628 HD23 ' OE1' ' A' ' 37' ' ' GLU . 4.4 mm? -35.85 -35.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -65.63 -45.96 81.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 51' ' ' CYS . 22.3 m170 -105.4 34.17 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.489 ' HB2' HG11 ' A' ' 41' ' ' VAL . 35.5 ptt180 -69.69 -36.1 75.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.401 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 3.6 m170 -69.66 164.32 23.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.62 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 40.8 mt-30 -66.69 -74.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.2 p -43.38 -42.41 4.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' CG ' ' HB2' ' A' ' 56' ' ' HIS . 8.8 m-20 -45.45 -50.79 12.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.494 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.7 p-80 -98.18 29.96 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 41.01 52.24 3.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.3 t -42.53 113.29 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 19.5 pt-20 -61.01 -38.57 86.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 28.4 mmmt -48.25 -43.75 32.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 70.6 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.533 ' CD2' ' HB2' ' A' ' 40' ' ' ALA . 43.1 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.921 0.391 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.661 ' HA ' HG12 ' A' ' 36' ' ' VAL . 90.8 p -70.43 129.37 39.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.877 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.9 t -50.38 143.03 9.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.418 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 2.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.834 0.349 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.661 HG12 ' HA ' ' A' ' 27' ' ' SER . 35.7 m -136.47 169.45 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -151.09 155.0 38.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -58.76 -41.33 86.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -100.93 168.48 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.533 ' HB2' ' CD2' ' A' ' 26' ' ' TYR . . . -109.65 98.2 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.633 HG11 ' HB2' ' A' ' 55' ' ' ARG . 88.5 t -79.75 89.1 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.108 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.466 HD13 ' CA ' ' A' ' 49' ' ' ASN . 36.9 mm -80.78 145.51 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 50.9 t -98.12 126.68 39.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.609 0.718 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.54 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.77 6.07 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.67 2.246 . . . . 0.0 112.332 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.566 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 21.1 m-85 -111.58 -63.33 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.4 p -90.28 -8.16 51.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 23.6 mt-10 56.29 49.12 15.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 61.7 mttt -131.47 151.77 51.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.466 ' CA ' HD13 ' A' ' 42' ' ' ILE . 1.2 p30 -89.94 126.28 35.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 39.5 m-85 -128.06 168.11 15.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 54' ' ' HIS . 20.6 p -82.58 145.59 29.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.4 mm? -36.53 -41.0 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -61.95 -42.55 99.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 51' ' ' CYS . 47.4 m170 -109.02 35.92 3.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.633 ' HB2' HG11 ' A' ' 41' ' ' VAL . 26.0 ptt180 -71.65 -40.22 69.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.447 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 25.4 t60 -63.43 164.08 9.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.566 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 40.1 mt-30 -66.94 -75.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 m -43.94 -42.0 5.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -47.41 -51.42 20.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.531 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.1 p-80 -96.37 28.23 3.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 43.69 50.48 6.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.6 t -43.62 102.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 14.2 pt-20 -45.86 -44.32 14.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 31.1 mmmt -43.96 -47.75 8.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.6 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.49 ' O ' HG12 ' A' ' 36' ' ' VAL . 61.6 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.954 0.407 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.621 ' HA ' HG12 ' A' ' 36' ' ' VAL . 88.2 p -81.93 137.66 35.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.832 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.4 t -67.58 145.66 54.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.837 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.858 0.361 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.621 HG12 ' HA ' ' A' ' 27' ' ' SER . 15.9 m -126.32 171.99 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -150.95 160.65 43.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.3 mt -56.48 -44.89 81.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -94.0 -179.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -125.2 94.93 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.811 HG11 ' HB2' ' A' ' 55' ' ' ARG . 97.8 t -70.47 94.35 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' A' ' 49' ' ' ASN . 43.0 mm -92.15 140.56 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 53.3 t -88.09 124.64 66.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.654 0.74 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.511 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.3 Cg_endo -69.72 5.57 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.376 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.554 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 17.3 m-85 -110.37 -62.78 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.8 p -91.0 -11.76 37.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 35.0 mt-10 60.24 47.49 9.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 60.2 mttt -123.47 152.87 41.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.556 ' HA ' HD13 ' A' ' 42' ' ' ILE . 37.6 t30 -89.54 133.58 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 45.4 m-85 -140.81 174.4 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' HIS . 28.8 p -93.45 151.57 19.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.4 mm? -38.15 -40.81 0.53 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -63.0 -43.76 97.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' CYS . 26.1 m170 -106.25 33.42 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.811 ' HB2' HG11 ' A' ' 41' ' ' VAL . 25.2 ptt180 -76.8 -37.63 55.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.507 ' N ' ' OD2' ' A' ' 59' ' ' ASP . 2.6 t-160 -55.63 -175.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.554 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 12.2 mt-30 -95.59 -48.24 5.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -83.29 35.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.507 ' OD2' ' N ' ' A' ' 56' ' ' HIS . 54.8 p-10 -128.39 -29.63 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.485 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 3.2 p-80 -110.94 25.26 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 t70 48.59 46.64 21.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.407 ' HB2' ' NE2' ' A' ' 60' ' ' HIS . 12.2 t -43.02 113.46 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.01 -33.14 66.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.437 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.5 mmmp? -61.82 -44.92 95.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.2 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.466 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 67.1 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.896 0.379 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.426 ' HA ' HG12 ' A' ' 36' ' ' VAL . 50.7 m -74.48 134.54 42.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.7 t -64.24 132.88 51.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.853 0.358 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 27' ' ' SER . 14.4 m -125.29 171.38 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -147.12 156.4 42.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -53.9 -43.03 69.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.4 m -101.1 177.74 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.466 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -121.17 112.81 19.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.738 HG11 ' HB2' ' A' ' 55' ' ' ARG . 90.8 t -90.03 91.84 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.462 HD13 ' CA ' ' A' ' 49' ' ' ASN . 36.9 mm -86.15 144.71 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 53.6 t -96.7 126.29 43.67 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.681 0.753 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.505 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.9 Cg_endo -69.79 5.6 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.64 2.227 . . . . 0.0 112.366 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.533 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 20.1 m-85 -109.76 -64.74 1.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.7 p -88.26 -13.55 40.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 73.2 mt-10 62.51 47.27 5.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.594 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 51.0 mttt -128.43 154.14 46.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.462 ' CA ' HD13 ' A' ' 42' ' ' ILE . 1.3 p30 -92.17 131.88 37.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.594 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 30.9 m-85 -134.54 170.1 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 54' ' ' HIS . 16.2 p -86.8 146.08 26.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.5 mm? -36.1 -42.25 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.407 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 9.9 mmt180 -60.84 -42.48 97.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 51' ' ' CYS . 25.1 m170 -111.12 39.98 2.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.738 ' HB2' HG11 ' A' ' 41' ' ' VAL . 19.5 ptt85 -78.09 -42.11 33.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -57.96 163.34 2.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.533 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 36.4 mt-30 -65.98 -73.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.1 m -45.82 -39.71 8.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.77 -48.01 30.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.529 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.1 p-80 -99.67 33.72 2.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' HIS . 1.1 p30 38.01 49.42 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.7 t -42.26 116.95 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 4.7 pt-20 -62.77 -37.35 86.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 1.4 mmmp? -51.82 -38.89 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 64' ' ' LYS . 41.2 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.785 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 22.3 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.893 0.378 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.695 ' HA ' HG12 ' A' ' 36' ' ' VAL . 50.4 m -85.15 143.4 28.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.6 t -63.58 143.35 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.491 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 4.3 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 27' ' ' SER . 30.0 m -124.96 -177.04 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.418 ' CD ' ' O ' ' A' ' 36' ' ' VAL . 67.9 mm-40 -157.95 160.4 37.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.14 -47.66 77.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -98.66 175.41 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.785 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -116.0 104.38 11.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.484 HG11 ' HB2' ' A' ' 55' ' ' ARG . 93.2 t -80.02 95.79 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.1 mm -89.22 138.75 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 52.7 t -89.14 126.17 59.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.663 0.744 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.539 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.8 Cg_endo -69.75 5.67 1.61 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.715 2.277 . . . . 0.0 112.357 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.548 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 18.8 m-85 -111.27 -63.47 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.6 p -90.31 -7.64 52.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 7.8 mt-10 55.86 43.11 28.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 72.8 mttt -120.46 159.06 25.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.588 ' OD1' ' HB1' ' A' ' 40' ' ' ALA . 6.7 t30 -94.11 132.61 38.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 46.6 m-85 -137.68 177.07 8.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 54' ' ' HIS . 17.0 p -98.12 146.96 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 52' ' ' LEU . 3.8 mm? -38.05 -40.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -62.46 -40.93 98.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 51' ' ' CYS . 31.0 m170 -114.12 37.41 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.484 ' HB2' HG11 ' A' ' 41' ' ' VAL . 21.6 ptt-85 -74.04 -47.39 37.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.401 ' N ' ' CG ' ' A' ' 55' ' ' ARG . 30.7 t-80 -51.79 161.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.548 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 38.4 mt-30 -64.61 -74.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.1 p -44.72 -40.67 6.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.21 -52.23 16.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.536 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.3 p-80 -94.81 25.23 4.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.1 t0 44.06 51.6 7.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.3 t -43.53 112.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.69 -34.22 74.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 2.5 mmmp? -53.93 -43.69 69.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.9 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.52 ' CE1' ' HB2' ' A' ' 40' ' ' ALA . 52.2 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.87 0.367 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.5 p -90.69 130.46 36.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.6 t -56.14 145.7 25.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.805 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.496 ' C ' ' CD ' ' A' ' 37' ' ' GLU . 22.9 m -123.06 165.52 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.496 ' CD ' ' C ' ' A' ' 36' ' ' VAL . 14.4 mp0 -144.83 151.75 39.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mt -54.32 -47.61 72.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -90.22 176.63 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.52 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . . . -123.43 96.79 5.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.652 HG11 ' HB2' ' A' ' 55' ' ' ARG . 72.5 t -76.39 100.17 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.1 mm -93.84 143.56 11.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 48.3 t -94.17 126.52 48.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.721 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.518 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.0 Cg_endo -69.76 5.94 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.731 2.288 . . . . 0.0 112.349 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.548 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 18.1 m-85 -112.16 -63.13 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.8 p -90.87 -7.89 50.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 27.9 mt-10 54.3 46.39 25.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 30.5 mttm -122.74 153.5 39.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -90.4 129.77 36.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 44.4 m-85 -133.31 175.18 9.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 54' ' ' HIS . 21.7 p -94.93 146.64 24.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.6 mm? -34.96 -42.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -60.53 -45.56 93.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 51' ' ' CYS . 26.9 m170 -106.61 35.89 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.652 ' HB2' HG11 ' A' ' 41' ' ' VAL . 32.8 ptt-85 -77.45 -43.19 33.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -57.54 158.02 6.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.548 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 12.2 mt-30 -65.25 -52.07 56.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.3 m -82.18 39.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -134.63 -35.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -103.52 22.4 14.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.823 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 52.4 48.69 22.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.471 ' HB3' HD12 ' A' ' 65' ' ' LEU . 8.8 t -43.75 117.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.45 ' HG2' ' N ' ' A' ' 64' ' ' LYS . 21.1 pm0 -66.63 -30.94 71.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.45 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 2.2 mmmp? -61.24 -43.5 98.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.471 HD12 ' HB3' ' A' ' 62' ' ' CYS . 17.5 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -154.04 105.5 2.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 m -156.73 175.41 14.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.83 144.91 7.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -142.66 159.09 42.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.381 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -128.75 156.45 43.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.13 103.39 1.02 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.5 p -167.83 140.83 3.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.775 0.322 . . . . 0.0 110.947 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -144.28 149.76 36.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.8 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.38 176.93 3.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.8 p -175.09 128.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 -132.41 100.89 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 96.0 t -133.27 124.27 48.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.474 ' O ' ' C ' ' A' ' 15' ' ' LYS . 64.7 t -57.5 127.76 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -32.49 146.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -81.06 147.18 30.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.4 mtp85 -78.13 157.45 78.41 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.648 0.737 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 19' ' ' LYS . 53.6 Cg_endo -69.82 84.07 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.631 2.221 . . . . 0.0 112.363 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' PRO . 12.7 tptp -35.77 138.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.8 p -111.84 121.41 44.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.119 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -47.72 -56.17 7.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -65.5 156.28 33.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -109.0 -46.02 3.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -164.06 119.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -128.51 131.94 48.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.635 ' CE2' ' HB2' ' A' ' 40' ' ' ALA . 36.5 m-85 -105.36 136.66 44.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.964 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.879 ' HA ' HG12 ' A' ' 36' ' ' VAL . 60.6 p -85.11 146.17 27.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.9 t -69.29 141.23 54.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.8 m -99.51 30.59 3.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -102.75 141.09 36.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.08 93.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.99 38.81 1.01 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.474 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.5 t -149.5 133.29 16.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.94 0.4 . . . . 0.0 110.91 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.0 p -127.51 38.12 4.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -104.23 145.95 29.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.879 HG12 ' HA ' ' A' ' 27' ' ' SER . 32.0 m -128.15 170.39 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -150.5 159.06 44.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -56.87 -46.47 81.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.8 m -88.82 170.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.635 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . . . -118.33 95.38 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.641 HG11 ' HB2' ' A' ' 55' ' ' ARG . 97.4 t -74.16 101.92 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' A' ' 49' ' ' ASN . 37.9 mm -96.32 143.18 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 42.1 t -92.44 124.91 57.91 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.531 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.71 6.18 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.362 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.542 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 18.7 m-85 -111.03 -63.24 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.3 p -90.78 -7.73 51.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 37.9 mt-10 55.46 50.27 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 42.8 mttm -128.99 155.71 44.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.5 ' HA ' HD13 ' A' ' 42' ' ' ILE . 14.3 t30 -90.93 133.38 35.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 44.4 m-85 -138.61 173.63 11.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' HIS . 17.6 p -93.13 152.01 19.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 52' ' ' LEU . 3.3 mm? -43.74 -39.42 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -65.0 -33.71 76.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 51' ' ' CYS . 39.4 m170 -119.97 35.92 4.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.641 ' HB2' HG11 ' A' ' 41' ' ' VAL . 14.0 ptt180 -74.97 -35.9 62.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.436 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 2.5 m170 -59.58 160.55 6.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.542 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 37.6 mt-30 -64.49 -75.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.1 t -49.99 -37.26 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.5 -50.89 29.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.523 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.5 p-80 -93.67 18.55 9.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.8 t70 55.84 52.44 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.2 t -44.28 124.54 4.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -67.4 -30.23 69.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.432 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 16.5 mmmt -66.53 -44.22 83.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LYS . 15.6 mt -37.28 153.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -93.24 48.11 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.0 t -139.76 107.82 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.61 175.98 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -73.13 140.33 80.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.565 0.698 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -0.13 6.49 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.348 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.1 ptt85 -131.68 144.83 51.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.7 mtt -104.06 175.99 5.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.29 149.71 50.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.106 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.12 101.04 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 75' ' ' THR . 3.2 t -120.34 82.15 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -142.52 135.68 28.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -64.99 103.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.6 mt -39.49 132.63 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.6 p -107.07 148.37 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 59.3 ttt-85 62.28 41.63 10.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 m -125.42 111.58 15.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.73 169.23 12.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 121.46 8.15 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.324 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 86.7 p -98.41 119.16 36.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.2 p -76.77 160.74 29.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.472 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 t -163.01 132.26 4.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.908 0.385 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 t -99.33 172.7 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.95 -126.94 5.68 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.533 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -158.57 162.49 37.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.361 . . . . 0.0 110.889 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -141.33 169.08 18.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.93 146.43 5.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.8 p -128.34 141.01 51.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 0.0 110.918 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.4 p -169.35 129.35 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -88.07 -179.96 6.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 13' ' ' VAL . 84.3 t -155.61 139.39 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.174 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -41.64 114.26 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 13' ' ' VAL . 12.5 p -166.15 119.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.48 ' O ' HG13 ' A' ' 14' ' ' VAL . 10.3 p -42.13 120.92 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -96.2 130.39 43.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -43.63 98.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -115.33 131.37 23.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 110.818 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 96.31 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.697 2.264 . . . . 0.0 112.35 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 152.94 44.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.5 p -140.58 112.04 7.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.55 105.07 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' HB3' ' ND1' ' A' ' 23' ' ' HIS . 21.0 mt-10 -132.28 -62.52 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.426 ' ND1' ' HB3' ' A' ' 22' ' ' GLU . 8.9 m80 -134.73 110.62 9.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -41.98 139.13 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 m -148.4 136.93 21.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.626 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 48.3 m-85 -119.11 138.44 52.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.2 p -85.69 130.12 34.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.47 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 10.3 t -43.19 166.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 3.6 m -109.48 -29.41 8.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -44.51 135.71 4.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -71.0 83.5 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 133.23 28.28 0.54 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.47 ' SG ' ' CB ' ' A' ' 28' ' ' CYS . 8.1 t -134.33 129.46 35.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.916 0.389 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.2 p -119.48 34.17 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.18 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.62 146.95 25.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.453 ' C ' ' CD ' ' A' ' 37' ' ' GLU . 17.3 m -118.58 162.27 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.114 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.453 ' CD ' ' C ' ' A' ' 36' ' ' VAL . 12.1 mp0 -145.91 145.52 30.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 mt -48.12 -47.87 34.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -97.28 178.7 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.626 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -119.45 98.05 5.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.513 HG11 ' HB2' ' A' ' 55' ' ' ARG . 86.3 t -75.85 95.86 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.3 mm -87.98 142.12 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 53.9 t -95.11 125.81 49.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.617 0.723 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.536 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.2 Cg_endo -69.72 5.89 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.536 ' CE1' ' HG2' ' A' ' 44' ' ' PRO . 17.9 m-85 -110.68 -60.91 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.1 p -93.47 -9.77 37.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 47.7 mt-10 56.95 43.84 23.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 25.9 mttp -122.16 152.96 39.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.473 ' OD1' ' HB1' ' A' ' 40' ' ' ALA . 19.8 t30 -87.71 128.57 35.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 48.4 m-85 -132.96 172.37 12.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' HIS . 24.7 p -93.3 149.45 21.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.5 mm? -37.33 -40.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -62.55 -42.59 99.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 51' ' ' CYS . 41.2 m170 -108.11 36.85 2.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.513 ' HB2' HG11 ' A' ' 41' ' ' VAL . 25.6 ptt180 -75.29 -39.99 59.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.437 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 20.2 m170 -63.72 160.67 16.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.535 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 38.7 mt-30 -64.34 -69.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.2 t -49.05 -40.95 33.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.437 ' CG ' ' HB2' ' A' ' 56' ' ' HIS . 11.1 m-20 -47.55 -52.23 18.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.0 p-80 -95.07 26.26 3.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 40.89 54.27 3.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.6 t -43.71 116.21 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -61.68 -30.25 70.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 27.9 mmmt -57.8 -44.31 86.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.3 mt -39.13 159.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -86.98 46.72 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.9 p -137.4 133.19 46.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -164.23 153.82 14.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -78.77 140.74 58.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.548 0.69 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 2.64 3.32 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.318 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.8 ptt-85 -122.56 125.28 45.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.5 tpt -147.55 123.87 10.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.17 -43.63 14.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.93 96.63 6.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.07 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 75' ' ' THR . 15.1 t -67.35 127.52 32.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -165.89 111.01 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -141.77 137.13 31.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.689 HD22 ' C ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -155.45 163.17 40.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.8 p -160.67 137.39 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -127.1 -29.48 2.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -64.55 130.47 43.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -143.51 -157.72 7.28 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 87.59 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.307 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.2 m -127.06 97.45 4.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.4 t -76.51 107.82 9.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.504 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -149.81 143.9 25.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.826 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -160.72 145.12 13.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.63 151.37 21.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 t -170.43 163.95 8.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.907 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -136.72 165.48 25.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.49 91.28 0.51 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.2 m -91.03 152.09 20.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 t -98.85 134.34 41.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -121.03 179.07 4.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.4 p -175.24 138.61 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -112.08 139.92 47.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.0 t -122.87 131.93 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.146 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.5 t -76.01 95.25 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -108.33 133.8 52.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -52.02 143.69 13.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -53.46 154.11 6.67 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 19' ' ' LYS . 54.3 Cg_endo -69.67 136.84 34.27 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.371 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 18' ' ' PRO . 8.5 mtmp? -34.76 150.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 21' ' ' ASP . 11.4 t -121.65 130.73 53.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 20' ' ' THR . 10.8 m-20 -35.05 115.02 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -44.89 -46.53 10.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -68.74 129.21 39.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -94.21 156.11 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.7 p -111.21 125.03 53.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CD2' ' HB2' ' A' ' 40' ' ' ALA . 90.7 m-85 -97.27 139.71 32.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.474 ' HA ' HG12 ' A' ' 36' ' ' VAL . 24.5 p -81.25 145.94 30.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.6 t -73.98 143.31 45.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 49' ' ' ASN . 4.5 m -86.35 25.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.505 ' CD2' ' HB2' ' A' ' 33' ' ' CYS . 47.3 t80 -93.64 165.39 12.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' N ' ' CD2' ' A' ' 30' ' ' PHE . 25.6 ttpp -99.38 93.16 5.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 38.5 5.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.505 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 53.9 t -107.93 -22.43 12.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.468 ' C ' ' O ' ' A' ' 33' ' ' CYS . 40.1 p 31.69 53.8 0.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -123.27 148.58 45.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 27' ' ' SER . 25.0 m -137.55 168.36 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -155.73 154.03 30.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.0 mt -57.01 -39.99 75.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.4 m -102.09 167.53 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.528 ' HB2' ' CD2' ' A' ' 26' ' ' TYR . . . -107.49 93.34 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.566 HG11 ' HB2' ' A' ' 55' ' ' ARG . 91.2 t -72.6 96.96 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 49' ' ' ASN . 33.1 mm -91.47 137.54 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 45.9 t -87.33 123.78 69.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.727 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.524 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.4 Cg_endo -69.82 5.86 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.318 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.625 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 21.7 m-85 -110.33 -60.33 1.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.3 p -94.57 -6.05 44.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 26.3 mt-10 55.47 46.4 23.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 22.3 mttp -124.22 153.01 42.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.492 ' HA ' HD13 ' A' ' 42' ' ' ILE . 32.4 t30 -89.77 130.15 36.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 57.5 m-85 -135.34 174.73 10.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' HIS . 27.8 p -92.96 150.68 20.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -38.4 -39.95 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -64.87 -40.72 95.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' CYS . 62.5 m170 -106.83 31.27 5.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.566 ' HB2' HG11 ' A' ' 41' ' ' VAL . 11.9 ptt180 -70.41 -35.38 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.416 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 63.9 m80 -67.17 166.65 13.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.625 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 41.7 mt-30 -73.29 -71.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -47.55 -39.43 16.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -47.31 -52.39 16.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.508 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 4.0 p-80 -94.44 21.96 6.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 51.34 51.23 17.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.8 t -45.6 121.71 3.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 12.8 pt-20 -64.96 -43.5 92.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.9 mmmp? -47.33 -37.86 11.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.1 mt -49.14 178.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -82.45 42.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.4 t -133.56 109.76 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -143.82 111.72 6.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.28 131.83 24.0 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.618 0.723 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -0.42 6.9 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.676 2.251 . . . . 0.0 112.351 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -83.07 81.17 8.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -174.88 153.15 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.14 103.72 15.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.59 97.13 10.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.1 p -116.36 142.11 47.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -48.95 143.6 5.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -165.48 172.49 12.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.467 ' N ' ' HD2' ' A' ' 77' ' ' LYS . 3.7 pp -135.93 149.28 48.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 79' ' ' VAL . 7.9 p -119.43 120.24 63.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -174.99 129.52 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 t -64.96 172.44 2.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.78 -105.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 83.49 0.7 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.72 2.28 . . . . 0.0 112.338 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.4 p -80.26 137.71 36.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.2 t -91.1 -58.5 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.46 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m -147.92 160.67 42.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 110.849 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -126.95 92.86 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.92 152.26 5.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 t -131.52 154.8 48.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 p -51.87 156.65 1.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.08 -103.77 0.67 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.8 t -86.49 171.9 10.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.6 p -118.86 147.65 43.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -57.15 152.08 14.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.3 t -155.85 111.81 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -59.12 118.22 5.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.4 p -77.2 147.36 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.3 133.99 30.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 tttp -134.24 151.78 51.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -133.01 122.6 24.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -104.6 138.71 19.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 110.832 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -175.19 1.07 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.365 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.6 tptp 57.79 48.17 14.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.4 p -96.58 160.8 14.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' GLU . 44.3 t0 -115.87 141.45 48.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' ASP . 4.7 tp10 -34.34 -43.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -80.61 80.75 7.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.94 155.92 37.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.7 p -155.5 131.25 9.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.804 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.705 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 63.2 m-85 -119.01 128.62 54.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.506 ' HA ' HG12 ' A' ' 36' ' ' VAL . 74.0 m -76.68 129.14 35.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.466 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 7.7 t -48.95 167.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.418 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 26.6 t -116.39 -25.49 7.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -44.24 137.02 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -68.47 81.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 131.57 33.54 0.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.466 ' SG ' ' CB ' ' A' ' 28' ' ' CYS . 13.0 t -141.93 137.27 31.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.942 0.401 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.7 p -132.08 34.11 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -100.22 143.19 30.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 27' ' ' SER . 31.2 m -115.22 159.78 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.495 ' CD ' ' C ' ' A' ' 36' ' ' VAL . 13.2 mp0 -140.13 152.51 46.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 mt -50.52 -45.06 56.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.8 m -102.24 175.78 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.705 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -118.57 109.39 16.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.071 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.827 HG11 ' HB2' ' A' ' 55' ' ' ARG . 91.4 t -86.19 95.2 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.451 HD13 ' CA ' ' A' ' 49' ' ' ASN . 25.8 mm -84.76 143.93 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 43.0 t -98.63 126.41 39.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.517 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.4 Cg_endo -69.76 5.61 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.626 2.218 . . . . 0.0 112.358 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.552 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 16.9 m-85 -110.69 -63.23 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.8 p -90.82 -6.54 54.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 2.9 mm-40 54.53 46.8 24.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 51.6 mttm -127.22 150.47 49.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.451 ' CA ' HD13 ' A' ' 42' ' ' ILE . 1.6 p30 -89.78 128.8 36.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 33.0 m-85 -129.93 171.95 12.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 54' ' ' HIS . 24.8 p -87.53 146.77 25.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.5 mm? -35.67 -41.45 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -61.89 -44.66 96.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 51' ' ' CYS . 42.8 m170 -106.44 33.92 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.827 ' HB2' HG11 ' A' ' 41' ' ' VAL . 6.7 ptm180 -72.57 -44.89 61.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.467 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 7.2 t-80 -57.45 165.35 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.552 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 34.9 mt-30 -68.23 -74.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 t -45.51 -40.65 8.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -46.45 -51.94 14.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.496 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 2.8 p-80 -94.6 27.27 3.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 40.5 53.71 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.2 t -44.44 119.05 1.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -62.22 -37.6 85.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.434 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 18.9 mmmt -53.64 -42.49 67.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.2 mt -39.52 159.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -78.9 47.73 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.6 t -138.6 117.02 13.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.99 117.89 3.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.498 ' N ' ' HE3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -52.5 143.2 28.58 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.721 . . . . 0.0 110.918 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -1.53 8.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.244 . . . . 0.0 112.31 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -50.03 118.54 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 tpp -52.78 -47.65 67.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.85 147.45 33.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -136.73 106.89 6.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.3 m -47.63 133.76 13.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -108.39 -35.07 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -107.38 107.31 18.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.5 mt -111.01 44.76 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.3 m -83.17 36.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.169 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -77.01 86.75 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.8 p -167.33 117.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.87 -178.41 15.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 98.64 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.383 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.8 p -171.45 128.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.0 t -40.18 132.52 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.474 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.7 m -147.27 157.55 43.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 t -47.69 -59.36 3.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.59 -171.15 4.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -170.41 118.72 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.844 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -120.09 96.35 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.44 53.01 4.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 85.1 m -137.52 145.39 42.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.3 t -92.65 142.09 27.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -59.25 153.23 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.566 ' O ' HG13 ' A' ' 11' ' ' VAL . 11.4 p -175.13 115.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -120.79 120.04 34.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -156.0 147.23 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 p -96.73 140.39 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -122.3 113.88 20.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -171.12 143.37 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -121.56 121.07 28.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 19' ' ' LYS . 53.4 Cg_endo -69.78 89.61 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -34.05 146.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.3 p -104.87 116.56 32.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -126.56 89.54 3.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -143.78 158.86 43.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -129.71 -60.48 1.04 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -165.77 135.22 3.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.7 p -148.52 126.74 12.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.687 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 80.8 m-85 -101.13 119.18 38.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.817 ' HA ' HG12 ' A' ' 36' ' ' VAL . 2.3 m -67.31 141.77 57.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.5 t -71.43 141.06 50.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.534 ' OG ' ' CE2' ' A' ' 50' ' ' PHE . 60.8 p -97.76 38.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 33' ' ' CYS . 8.5 t80 -103.57 140.9 36.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -72.77 84.42 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 119.71 34.71 0.97 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.477 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.456 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 44.3 t -137.83 138.88 39.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.0 p -131.66 40.78 3.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.94 145.02 40.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.817 HG12 ' HA ' ' A' ' 27' ' ' SER . 30.2 m -127.17 168.88 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' OE2' HD23 ' A' ' 52' ' ' LEU . 5.3 mm-40 -145.96 157.11 43.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mt -56.0 -41.89 75.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.8 m -94.99 168.2 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.687 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -114.77 104.03 11.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.664 HG11 ' HB2' ' A' ' 55' ' ' ARG . 93.4 t -83.02 95.1 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 34.0 mm -87.8 143.16 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 49.7 t -96.5 125.99 45.21 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.644 0.735 . . . . 0.0 110.895 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.533 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.0 Cg_endo -69.8 6.17 1.43 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.647 2.231 . . . . 0.0 112.311 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.536 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 19.8 m-85 -111.02 -63.6 1.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.9 p -90.44 -7.79 52.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 35.9 mt-10 55.16 45.33 26.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 50.5 mttm -123.36 158.73 30.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.533 ' OD1' ' HB1' ' A' ' 40' ' ' ALA . 6.5 t30 -95.18 124.88 39.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 26.5 m-85 -127.83 173.95 9.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 54' ' ' HIS . 18.6 p -94.74 147.54 23.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.832 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.5 mm? -36.35 -40.71 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -62.11 -43.34 99.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 51' ' ' CYS . 25.2 m170 -111.7 40.74 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.664 ' HB2' HG11 ' A' ' 41' ' ' VAL . 33.4 ptt180 -77.41 -42.79 34.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.41 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 94.4 m-70 -58.14 162.58 3.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.536 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 36.2 mt-30 -64.92 -76.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.0 m -45.46 -38.71 6.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.41 ' CG ' ' HB2' ' A' ' 56' ' ' HIS . 8.3 m-20 -48.67 -48.96 39.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.485 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 2.7 p-80 -98.54 33.17 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 39.94 48.23 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.6 t -43.52 110.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -55.32 -48.02 74.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 29.1 mmmt -40.06 -45.11 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.3 mt -42.49 165.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -80.31 43.86 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.6 m -103.65 148.43 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.146 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.37 120.97 21.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -105.22 140.71 21.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 2.09 3.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.459 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 4.8 ptp180 -131.93 172.91 11.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -159.74 119.39 2.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.43 110.59 13.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -153.99 105.59 2.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.7 p -54.55 -44.31 72.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -88.62 130.04 35.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.2 155.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -40.8 160.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.9 m -100.98 122.67 53.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -174.54 115.39 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.4 m -161.32 157.79 25.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.9 138.55 7.18 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -38.79 7.39 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m 61.89 41.17 11.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.7 m -54.13 -51.09 65.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.46 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -74.41 147.69 41.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.38 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.0 m -80.76 -50.62 9.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.84 162.64 12.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 t -103.02 110.87 22.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 p -122.96 121.96 37.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.36 119.09 0.5 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.531 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.6 t -109.49 86.71 2.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.1 m -50.21 107.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -108.52 165.45 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.8 p -162.36 140.37 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -138.03 113.0 9.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.8 p -86.49 146.0 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.7 m -124.9 136.35 61.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -133.92 91.31 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' C ' ' CD ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -157.09 178.09 10.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.936 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -146.64 127.55 7.17 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.628 0.728 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 172.17 13.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.63 2.22 . . . . 0.0 112.348 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt 62.04 42.76 9.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 t -139.75 159.06 43.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.106 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -125.97 88.72 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -59.95 151.72 25.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -48.75 174.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.1 157.58 34.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.8 p -125.47 130.52 51.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.705 ' CE2' ' HB2' ' A' ' 40' ' ' ALA . 83.6 m-85 -105.05 122.05 45.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 96.0 p -74.86 127.33 32.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 38.7 t -50.85 136.94 21.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 m -94.92 32.4 1.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -102.87 153.03 20.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -80.84 92.38 6.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.03 36.97 1.42 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 40.5 t -149.63 133.27 16.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.943 0.402 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.4 p -127.04 31.67 5.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -92.28 142.7 27.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.3 m -115.27 176.64 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -151.9 151.53 31.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.55 -41.63 63.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -105.81 -179.56 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.127 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.705 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . . . -116.63 113.09 22.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.624 HG11 ' HB2' ' A' ' 55' ' ' ARG . 92.0 t -91.94 89.24 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.48 HD13 ' CA ' ' A' ' 49' ' ' ASN . 26.7 mm -84.29 140.38 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.1 t -93.4 125.19 55.09 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.63 0.729 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.507 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.7 Cg_endo -69.77 5.27 1.77 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.585 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 15.4 m-85 -108.9 -62.14 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.3 p -92.11 -7.67 47.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 57.42 49.22 13.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 28.4 mttp -132.71 152.71 51.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.48 ' CA ' HD13 ' A' ' 42' ' ' ILE . 1.9 p30 -92.11 132.92 36.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 41.5 m-85 -134.3 171.62 14.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 54' ' ' HIS . 20.3 p -86.01 149.4 25.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -41.63 -38.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -64.61 -37.41 87.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 51' ' ' CYS . 38.9 m170 -114.78 29.84 7.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.624 ' HB2' HG11 ' A' ' 41' ' ' VAL . 29.2 ptt180 -66.2 -42.49 88.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -56.3 168.37 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.585 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 39.6 mt-30 -73.36 -73.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.1 m -46.43 -36.9 6.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -49.46 -52.25 30.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.497 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.2 p-80 -93.8 17.88 11.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 55.6 51.5 12.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.6 t -44.29 100.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -46.28 -33.28 3.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.6 mmmp? -59.25 -44.44 92.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.2 mt -41.21 162.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -77.53 50.25 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 68' ' ' ALA . 48.9 t -118.11 138.95 47.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 69' ' ' LYS . . . -35.54 138.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' ALA . 15.2 mtpt -33.91 140.24 0.26 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.59 0.71 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 71' ' ' ARG . 53.2 Cg_endo -69.78 -10.04 27.58 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 70' ' ' PRO . 2.5 mmp_? 36.36 40.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 73' ' ' ALA . 7.4 mtp -76.74 152.2 35.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 72' ' ' MET . . . -35.47 -47.39 0.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 63.76 40.85 7.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.9 m -56.43 92.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.189 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -82.49 179.2 7.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.57 155.46 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.68 94.13 6.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.0 t -147.1 112.25 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.6 ptt85 -112.02 125.67 54.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.7 t -89.75 -46.84 8.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -87.2 121.63 5.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 109.5 2.33 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 92.9 p -144.93 159.66 42.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.7 m -107.38 125.39 51.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.797 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.454 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.0 m 42.42 41.99 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.841 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.3 p -167.27 171.25 10.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.28 156.58 9.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 p -169.87 130.18 1.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -167.7 150.3 5.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.4 104.36 0.17 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.4 m -116.9 155.19 29.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.0 p -168.45 110.39 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -104.04 -177.47 3.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -175.36 151.2 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -75.15 130.41 39.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 p -46.89 131.57 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.517 ' O ' HG23 ' A' ' 14' ' ' VAL . 30.4 m -55.08 116.65 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -143.77 167.28 22.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -171.16 140.37 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -123.18 113.0 29.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 95.34 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -110.67 131.9 54.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 21' ' ' ASP . 80.3 p -79.17 -49.85 11.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' THR . 6.3 p-10 36.76 41.63 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -90.58 -44.87 9.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -62.78 150.54 41.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -130.27 170.62 13.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.8 p -138.68 131.89 30.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.843 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 70.4 m-85 -117.19 146.22 43.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.513 ' HA ' HG12 ' A' ' 36' ' ' VAL . 92.7 p -93.7 129.08 40.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.0 t -52.07 138.32 25.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m -95.45 29.74 2.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -101.72 147.85 25.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -76.72 98.85 4.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.45 38.63 2.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.4 t -147.8 127.73 13.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.924 0.392 . . . . 0.0 110.843 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.8 p -121.8 35.95 4.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -99.2 147.45 25.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 27' ' ' SER . 29.1 m -127.24 167.45 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -146.29 157.41 43.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -49.54 -44.11 46.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.2 m -108.82 -178.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.843 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -120.43 110.56 16.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.774 HG11 ' HB2' ' A' ' 55' ' ' ARG . 97.2 t -77.91 90.16 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.425 HD13 ' CA ' ' A' ' 49' ' ' ASN . 32.1 mm -78.83 134.13 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 41.9 t -85.95 125.76 67.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.601 0.715 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.543 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.2 Cg_endo -69.68 6.26 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.559 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 22.2 m-85 -111.82 -60.61 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.976 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.3 p -94.91 -4.81 46.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 5.8 mm-40 55.24 48.44 19.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 36.1 mttm -127.26 149.25 50.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.425 ' CA ' HD13 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -88.0 132.34 34.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 52.6 m-85 -136.26 175.97 9.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.5 p -92.64 152.36 19.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -45.36 -38.03 5.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -66.85 -31.3 71.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -122.44 34.91 5.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.774 ' HB2' HG11 ' A' ' 41' ' ' VAL . 21.9 ptt180 -75.23 -36.98 61.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.421 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 4.6 m170 -57.88 163.62 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.559 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 37.6 mt-30 -68.34 -73.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.4 m -49.97 -37.78 33.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.88 -48.2 51.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 2.2 p-80 -95.47 20.56 9.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.7 t70 50.97 54.31 11.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.6 t -47.66 126.87 10.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.9 pm0 -73.94 -23.55 59.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.436 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.9 mmmp? -67.65 -41.72 83.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.2 mt -40.74 160.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -78.94 46.51 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.2 t -141.43 107.3 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.72 134.79 38.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -143.38 144.12 26.84 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.514 0.673 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 1.18 4.72 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.316 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.3 mmt-85 -66.75 155.76 37.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.4 ptm -97.26 168.42 10.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.44 140.1 50.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.61 167.12 1.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.4 m -125.62 136.68 53.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.166 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -76.73 92.94 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.464 ' O ' HG22 ' A' ' 79' ' ' VAL . 6.3 ttpm? -96.07 131.81 42.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.471 HD22 ' HA ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -59.98 122.78 15.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 77' ' ' LYS . 0.3 OUTLIER -145.84 115.6 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.5 mtm180 -151.57 129.72 11.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 m -130.72 97.35 4.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -137.12 120.38 2.1 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 167.34 24.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 96.2 p -66.89 119.4 11.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.5 m -147.12 154.81 41.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.455 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -51.56 99.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -98.47 -44.33 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.58 -135.94 3.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m -102.7 42.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.823 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 m -124.1 174.23 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.83 85.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.9 t -132.41 159.81 38.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 t -117.51 162.6 17.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.2 162.4 7.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 83.3 t -134.98 137.88 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -79.04 146.55 33.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.2 t -141.77 142.1 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -95.65 -176.75 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.198 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.48 143.8 31.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -133.38 43.6 2.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.489 ' N ' ' HE ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -44.96 137.84 4.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.598 0.713 . . . . 0.0 110.9 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 128.08 15.48 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.716 2.278 . . . . 0.0 112.312 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 tptp -86.55 147.37 25.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.5 p -124.71 104.5 8.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -104.1 95.62 6.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -106.0 -59.85 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -92.41 108.39 19.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -63.64 152.11 39.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 p -144.47 138.46 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -107.73 135.15 49.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.671 ' HA ' HG12 ' A' ' 36' ' ' VAL . 54.3 p -78.84 133.17 37.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.7 t -61.22 140.4 57.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 m -100.27 33.53 2.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 60' ' ' HIS . 64.4 t80 -105.51 150.38 25.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -79.84 89.52 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.25 36.81 0.78 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.1 t -147.52 135.25 21.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.1 p -129.31 32.77 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -103.54 153.52 20.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.671 HG12 ' HA ' ' A' ' 27' ' ' SER . 29.9 m -128.68 169.96 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -145.47 155.04 42.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mt -55.3 -39.26 69.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.6 m -103.13 171.06 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.48 112.38 22.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.881 HG11 ' HB2' ' A' ' 55' ' ' ARG . 97.5 t -89.5 90.79 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.7 mm -82.08 139.66 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 46.3 t -92.25 125.27 57.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.5 Cg_endo -69.71 6.37 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.532 ' CE1' ' HG2' ' A' ' 44' ' ' PRO . 24.7 m-85 -111.81 -61.54 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.8 p -93.52 -5.05 49.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 6.5 mt-10 54.84 45.63 26.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 45.2 mttm -123.65 153.54 40.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.89 131.0 39.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 37.9 m-85 -132.45 174.97 9.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 54' ' ' HIS . 27.7 p -90.97 146.13 24.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.2 mm? -36.17 -39.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -63.28 -44.48 94.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' CYS . 11.0 m-70 -107.25 34.31 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.881 ' HB2' HG11 ' A' ' 41' ' ' VAL . 23.5 ptt180 -74.59 -42.12 59.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.415 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 57.0 m-70 -55.34 167.44 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.681 ' HB3' HD11 ' A' ' 65' ' ' LEU . 19.3 mt-30 -75.76 -49.18 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.2 t -82.56 38.7 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -133.74 -34.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.465 ' HA ' ' CD1' ' A' ' 30' ' ' PHE . 2.4 p-80 -104.31 23.49 13.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.7 t70 50.14 50.76 18.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.411 ' HB3' HD12 ' A' ' 65' ' ' LEU . 9.0 t -47.56 115.15 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 64' ' ' LYS . 23.3 pm0 -63.88 -28.92 70.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.414 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 48.6 mmtt -68.71 -44.57 73.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.681 HD11 ' HB3' ' A' ' 57' ' ' GLN . 12.4 mt -39.22 156.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.422 ' CD ' ' O ' ' A' ' 66' ' ' GLU . 5.5 tm-20 -81.11 45.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.682 ' O ' HG23 ' A' ' 67' ' ' VAL . 27.2 m -114.42 82.8 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.1 78.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -135.13 143.21 44.86 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.601 0.715 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -5.66 16.72 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.674 2.249 . . . . 0.0 112.368 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 72' ' ' MET . 57.0 mtp85 -52.18 -53.26 45.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 71' ' ' ARG . 6.1 ptp -34.34 135.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -159.9 162.7 34.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -139.12 125.15 19.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.5 p -116.55 39.43 3.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -146.8 156.94 43.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -101.77 41.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.75 143.26 3.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.2 m -108.09 37.62 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.15 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -103.04 83.69 2.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 84.9 p -148.05 125.27 11.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -158.63 75.58 0.2 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 103.09 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.358 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.2 m -68.59 -55.95 9.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.4 m 47.94 42.16 15.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.498 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m -120.77 92.37 3.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.923 0.392 . . . . 0.0 110.886 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -102.62 85.81 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.94 48.88 18.97 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -98.27 135.77 39.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 p -161.52 125.71 3.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.3 95.22 0.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.0 m -115.48 41.81 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.9 p -139.03 111.09 7.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -137.66 167.68 21.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.9 p -162.84 143.33 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.096 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.14 134.41 51.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.9 t -89.94 138.29 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -142.05 113.23 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -109.31 174.82 5.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -89.63 132.18 35.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -125.02 145.28 49.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 124.22 10.88 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -71.41 -56.86 5.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.5 p -44.18 148.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -138.13 152.14 48.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -152.66 154.15 34.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.4 OUTLIER -101.98 91.72 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -97.97 178.42 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 m -165.9 133.58 2.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.55 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 75.7 m-85 -106.59 147.11 29.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.936 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.474 ' HA ' HG12 ' A' ' 36' ' ' VAL . 37.4 m -89.47 133.45 34.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.2 t -57.03 136.96 56.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m -93.72 27.54 2.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 60' ' ' HIS . 76.0 t80 -101.18 130.38 47.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -66.01 89.46 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.63 37.57 0.58 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.1 t -149.42 137.22 20.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.97 0.414 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.1 p -128.08 41.29 3.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -110.21 143.59 40.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 27' ' ' SER . 29.6 m -119.87 171.74 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -152.22 147.25 26.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -48.76 -43.04 37.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.44 167.17 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.55 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -109.88 109.01 19.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.069 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.652 HG11 ' HB2' ' A' ' 55' ' ' ARG . 94.4 t -83.17 91.66 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.528 HD13 ' CA ' ' A' ' 49' ' ' ASN . 33.9 mm -83.99 141.41 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 46.9 t -90.17 126.5 56.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.587 0.708 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.551 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.0 Cg_endo -69.77 6.64 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.639 2.226 . . . . 0.0 112.388 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.557 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 22.3 m-85 -112.56 -63.75 1.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.2 p -89.95 -12.02 40.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 22.0 mt-10 61.3 50.35 4.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 24.2 mttm -128.8 144.94 51.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.528 ' CA ' HD13 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -84.8 131.27 34.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.829 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 61.5 m-85 -135.0 175.89 9.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 54' ' ' HIS . 19.2 p -93.22 146.12 23.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -37.98 -41.49 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -61.98 -40.03 94.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 51' ' ' CYS . 34.8 m170 -113.81 38.16 3.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.652 ' HB2' HG11 ' A' ' 41' ' ' VAL . 11.8 ptt180 -78.83 -37.12 41.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -53.3 167.78 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 17.5 mt-30 -78.81 -47.38 16.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.4 m -81.06 18.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.83 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.0 -38.27 5.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.506 ' HA ' ' CD1' ' A' ' 30' ' ' PHE . 5.2 p-80 -104.43 29.47 6.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.9 t70 45.49 48.71 10.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 10.6 t -41.38 130.37 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -78.05 -23.97 47.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -87.38 26.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.0 mt -100.94 161.25 13.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -92.8 44.1 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.2 t -104.08 146.4 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.68 104.14 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -112.43 136.03 21.45 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.579 0.704 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 7.55 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.373 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -103.05 89.56 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.24 122.22 3.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.24 85.91 2.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.58 39.65 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.0 p -133.91 172.35 12.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -124.98 143.65 50.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -124.62 155.59 38.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.605 HD23 ' N ' ' A' ' 79' ' ' VAL . 2.5 tt -49.74 135.63 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.605 ' N ' HD23 ' A' ' 78' ' ' LEU . 89.5 t -72.84 -61.81 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.407 ' C ' HD22 ' A' ' 78' ' ' LEU . 31.7 ttp180 -100.76 82.25 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.6 p -43.24 157.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -164.81 -179.31 38.76 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 6.6 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 0.0 112.385 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 t -80.65 116.63 20.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.9 m -41.05 -42.83 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.518 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t -160.49 119.98 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -148.82 160.93 42.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.81 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.57 148.73 15.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 p -174.92 155.2 2.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 0.0 110.908 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -101.14 125.24 47.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.01 145.64 4.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 m -153.22 115.47 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.9 t -107.2 165.82 11.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -76.16 175.16 9.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.3 t -151.97 111.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -109.06 90.88 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.502 HG11 ' HE3' ' A' ' 15' ' ' LYS . 9.6 p -173.86 144.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.152 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.2 t -94.85 105.76 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.502 ' HE3' HG11 ' A' ' 13' ' ' VAL . 53.6 mttt -119.26 18.69 12.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -128.03 103.95 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -145.42 115.75 4.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.589 0.709 . . . . 0.0 110.92 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 174.18 9.84 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -109.26 110.82 22.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 t -80.14 -33.37 38.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -142.53 118.64 10.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.34 135.45 17.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -91.34 150.26 21.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -100.41 139.57 35.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 77.7 p -94.66 121.69 36.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.605 ' CE2' ' HB2' ' A' ' 40' ' ' ALA . 87.2 m-85 -100.91 135.0 43.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.413 ' HA ' HG12 ' A' ' 36' ' ' VAL . 83.9 p -88.82 130.04 35.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.0 t -53.53 144.43 17.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.473 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 6.7 t -85.71 13.84 6.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -93.58 125.23 38.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -75.38 81.89 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.97 26.06 0.79 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.462 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 34' ' ' THR . 38.2 t -115.19 -25.74 7.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.819 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.471 ' C ' ' O ' ' A' ' 33' ' ' CYS . 35.3 p 31.99 53.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -125.36 149.88 47.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' A' ' 27' ' ' SER . 27.9 m -135.25 163.57 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -150.24 151.62 33.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.35 -32.1 70.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.2 m -105.54 163.9 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.605 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . . . -110.46 103.8 12.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.85 HG11 ' HB2' ' A' ' 55' ' ' ARG . 95.6 t -84.39 88.19 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.463 HD13 ' CA ' ' A' ' 49' ' ' ASN . 16.3 mm -80.65 138.18 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.6 t -91.13 124.43 61.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.624 0.725 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.495 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.9 Cg_endo -69.82 5.44 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.583 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 21.7 m-85 -109.23 -61.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.7 p -92.34 -8.97 43.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 60.03 44.92 12.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 66.1 mttt -126.83 153.01 46.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.463 ' CA ' HD13 ' A' ' 42' ' ' ILE . 1.5 p30 -94.76 130.33 41.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 24.1 m-85 -132.31 170.32 15.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 54' ' ' HIS . 25.1 p -82.14 146.87 29.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.6 mm? -35.85 -40.6 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -62.87 -44.76 95.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.505 ' N ' ' O ' ' A' ' 51' ' ' CYS . 6.1 m-70 -103.92 29.05 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.85 ' HB2' HG11 ' A' ' 41' ' ' VAL . 5.7 ptm180 -68.06 -43.8 77.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.448 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 4.5 m-70 -60.31 166.54 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.583 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 35.6 mt-30 -70.14 -74.4 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.8 m -45.24 -36.66 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.62 -52.26 49.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.48 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.1 p-80 -94.5 23.53 5.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 45.18 53.66 7.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 10.5 t -45.12 111.49 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -56.46 -36.64 69.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -52.27 -46.28 65.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' A' ' 57' ' ' GLN . 66.3 mt -43.28 166.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.0 pm0 -91.78 34.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.566 ' O ' HG13 ' A' ' 67' ' ' VAL . 14.8 p -110.33 117.32 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -100.2 134.73 42.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -147.39 139.61 14.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.576 0.703 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -6.21 18.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.712 2.275 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -56.72 122.7 12.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.4 mmt -52.03 159.79 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.94 167.58 22.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.99 178.66 7.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.2 m -104.49 -45.61 4.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -41.07 130.78 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.11 128.82 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.815 HD23 ' H ' ' A' ' 78' ' ' LEU . 1.5 pt? -100.75 157.83 16.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.8 p -170.63 136.16 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.46 165.42 17.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.0 m -100.97 138.24 38.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.73 154.36 39.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 88.58 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.679 2.252 . . . . 0.0 112.368 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 t -114.69 107.13 15.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.9 t -168.21 150.25 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.487 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.429 -0.269 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -152.58 118.57 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.381 . . . . 0.0 110.873 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -160.54 156.6 26.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.38 93.43 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -112.31 83.92 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 t -116.19 144.88 43.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.9 109.95 0.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.7 m -143.07 109.79 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.4 p -149.04 177.22 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' C ' HG23 ' A' ' 11' ' ' VAL . 12.3 tt0 -151.06 153.12 34.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.423 ' C ' ' OD1' ' A' ' 12' ' ' ASN . 94.8 t -157.58 114.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.092 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.423 ' OD1' ' C ' ' A' ' 11' ' ' VAL . 5.2 m-20 -133.58 171.2 14.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.5 t -122.59 119.85 59.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.2 t -111.3 110.75 33.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -111.27 136.59 50.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -111.89 142.92 43.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.3 ppt_? -75.83 144.03 75.7 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.54 0.685 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 176.34 6.95 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.665 2.244 . . . . 0.0 112.314 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -79.7 152.03 30.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 t -170.95 129.42 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 22' ' ' GLU . 18.3 p-10 -121.38 69.35 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 21' ' ' ASP . 3.4 tp10 34.29 49.21 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 42.4 p-80 -83.55 89.04 7.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -82.83 110.94 18.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.8 p -117.73 124.25 48.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.556 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 81.1 m-85 -99.37 123.4 43.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.934 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.824 ' HA ' HG12 ' A' ' 36' ' ' VAL . 39.8 m -68.8 131.04 44.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.2 t -57.21 144.36 35.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.581 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 5.9 t -90.08 26.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.531 ' CD2' ' N ' ' A' ' 31' ' ' LYS . 51.6 t80 -91.64 173.26 7.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.531 ' N ' ' CD2' ' A' ' 30' ' ' PHE . 8.1 ttpm? -101.69 94.66 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.24 39.99 8.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.506 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 53.1 t -106.07 -20.21 13.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.484 ' C ' ' O ' ' A' ' 33' ' ' CYS . 38.2 p 30.54 53.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -124.87 146.1 49.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.824 HG12 ' HA ' ' A' ' 27' ' ' SER . 27.2 m -139.87 165.96 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -152.0 154.53 36.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -56.45 -42.66 78.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.4 m -92.9 176.69 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.556 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -122.01 103.78 9.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.963 HG11 ' HB2' ' A' ' 55' ' ' ARG . 84.9 t -85.71 94.72 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.464 HD13 ' CA ' ' A' ' 49' ' ' ASN . 41.7 mm -87.93 146.68 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 48.5 t -98.43 127.21 36.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.718 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.534 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.9 Cg_endo -69.73 6.37 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.647 2.231 . . . . 0.0 112.401 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.565 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 21.2 m-85 -112.26 -64.0 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.923 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.1 p -89.48 -8.0 53.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 33.8 mt-10 55.5 48.8 18.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.586 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 66.1 mttt -128.82 151.71 49.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.464 ' CA ' HD13 ' A' ' 42' ' ' ILE . 1.3 p30 -91.9 128.42 37.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 26.9 m-85 -129.79 168.05 17.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 54' ' ' HIS . 22.2 p -80.6 146.77 31.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.4 mm? -37.0 -39.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -63.02 -42.73 99.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.506 ' N ' ' O ' ' A' ' 51' ' ' CYS . 6.0 m-70 -108.25 33.72 3.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.963 ' HB2' HG11 ' A' ' 41' ' ' VAL . 31.2 ptt-85 -75.38 -36.41 60.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -62.75 169.66 3.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.586 ' HB3' HD11 ' A' ' 65' ' ' LEU . 13.0 mt-30 -77.92 -48.06 17.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 p -80.69 39.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -134.26 -38.93 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.416 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 2.3 p-80 -100.74 29.78 4.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 p30 43.25 46.83 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.7 t -44.24 118.68 1.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 8.3 pt-20 -67.03 -38.52 86.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 40.9 mmtm -57.01 -45.13 83.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 57' ' ' GLN . 15.2 mt -38.37 157.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -81.48 45.94 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.2 t -123.55 130.1 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.25 107.46 18.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.19 140.54 25.82 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.585 0.707 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 6.9 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.727 2.285 . . . . 0.0 112.321 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 66.2 mmt-85 -50.53 173.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -78.93 166.0 22.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.92 -175.99 5.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 64.67 42.7 4.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.3 m -131.89 124.6 29.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.149 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -160.2 171.93 18.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 ptpt -127.73 99.98 5.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.472 ' H ' HD12 ' A' ' 78' ' ' LEU . 6.3 mp -60.58 100.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.9 p -153.2 136.92 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.8 ptt-85 -129.87 145.99 51.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.6 t -50.77 144.62 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.407 ' C ' ' H ' ' A' ' 84' ' ' SER . . . -82.01 -153.35 11.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 85' ' ' SER . 54.2 Cg_endo -69.73 11.12 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.703 2.269 . . . . 0.0 112.351 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 83' ' ' PRO . 16.0 t -33.13 93.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 83' ' ' PRO . 52.1 p -118.19 136.61 53.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.487 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 m -135.9 134.89 39.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.377 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.2 p -174.57 167.53 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.0 128.31 3.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -142.43 130.53 21.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.6 p -172.71 169.68 4.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.51 164.86 33.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.0 p -160.84 166.37 28.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.3 t -147.17 140.37 25.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -83.28 166.68 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -160.1 129.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -162.59 110.37 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.48 ' O ' HG13 ' A' ' 13' ' ' VAL . 14.9 p -141.17 123.1 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 p -111.6 137.76 42.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -110.34 156.6 20.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -93.91 98.56 11.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.64 135.46 35.96 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.592 0.71 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 151.01 69.19 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.707 2.271 . . . . 0.0 112.358 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -97.98 34.57 1.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.4 p -136.52 116.22 13.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -73.46 167.13 21.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -132.68 152.54 51.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -99.71 140.88 33.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.796 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.83 177.09 3.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.5 m -129.5 123.75 32.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.613 ' CE1' ' HB2' ' A' ' 40' ' ' ALA . 52.2 m-85 -111.93 133.83 53.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.421 ' HA ' HG12 ' A' ' 36' ' ' VAL . 3.6 m -84.97 131.17 34.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 t -49.96 142.18 9.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 t -100.59 27.4 5.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.814 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.411 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 39.7 t80 -99.12 157.06 16.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.82 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.411 ' N ' ' CG ' ' A' ' 30' ' ' PHE . 20.5 ttpp -87.24 89.44 8.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.13 34.36 0.97 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.3 t -143.06 140.05 30.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.5 p -132.92 37.68 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -105.76 144.18 32.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 27' ' ' SER . 18.8 m -117.15 177.9 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -154.02 158.26 40.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 mt -59.39 -44.3 92.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.5 m -102.58 174.6 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.613 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . . . -113.76 111.66 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.805 HG11 ' HB2' ' A' ' 55' ' ' ARG . 74.6 t -87.79 89.87 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.41 HD13 ' CA ' ' A' ' 49' ' ' ASN . 33.5 mm -81.85 141.21 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 48.5 t -94.02 125.88 51.14 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.666 0.746 . . . . 0.0 110.832 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.528 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.77 5.81 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.633 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 23.2 m-85 -111.33 -61.95 1.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.6 p -92.36 -5.54 51.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 41.9 mt-10 53.99 49.24 19.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 48.5 mttm -129.78 153.22 48.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.41 ' CA ' HD13 ' A' ' 42' ' ' ILE . 1.3 p30 -91.24 133.9 35.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.532 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 39.3 m-85 -136.25 170.77 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' HIS . 18.9 p -86.29 147.17 26.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.1 mm? -37.63 -42.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -61.31 -40.68 95.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' CYS . 41.8 m170 -111.58 36.82 3.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.805 ' HB2' HG11 ' A' ' 41' ' ' VAL . 20.6 ptt-85 -74.16 -45.38 48.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.445 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 6.4 t-80 -55.07 165.74 0.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.806 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.633 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 39.0 mt-30 -68.13 -73.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.2 m -48.56 -37.71 18.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -47.91 -51.55 22.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.508 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.8 p-80 -94.34 21.63 6.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 50.6 53.47 12.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.1 t -41.76 121.79 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.4 pm0 -67.26 -25.62 66.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' LEU . 27.7 mmmt -68.45 -45.48 72.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' LYS . 27.3 mt -36.69 155.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -94.99 42.57 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.07 128.55 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -173.04 156.97 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -136.23 135.52 21.21 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.566 0.698 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -6.3 18.29 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.711 2.274 . . . . 0.0 112.312 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.4 mtp-105 -51.89 125.87 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.431 ' SD ' ' C ' ' A' ' 72' ' ' MET . 1.0 OUTLIER -83.32 154.12 24.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.71 118.61 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.14 96.92 6.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 75' ' ' THR . 13.4 t -164.98 129.05 2.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -174.93 144.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -90.39 103.36 16.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.5 tp -77.64 120.9 23.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.6 p -164.18 135.1 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.04 -16.15 6.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.2 p -154.41 156.49 36.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.26 98.27 0.24 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 152.29 68.9 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.666 2.244 . . . . 0.0 112.322 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 t -127.81 156.02 43.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 t -126.39 154.04 44.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.195 -0.78 . . . . 0.0 112.459 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -86.67 149.55 24.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 110.83 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.3 m -86.74 112.82 22.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.14 -167.79 11.61 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 t -63.73 120.26 11.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 0.0 110.856 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -99.32 105.75 17.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.82 44.09 0.99 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.4 m -57.05 101.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.8 p -116.18 132.7 56.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -62.49 160.93 12.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.4 t -132.55 116.15 27.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -119.58 133.15 55.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -170.53 141.81 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -96.35 152.75 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 147.85 49.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -152.32 139.05 18.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -130.79 131.16 23.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 171.8 13.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.252 . . . . 0.0 112.317 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -83.47 45.43 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.4 p -121.04 37.57 4.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -94.22 84.2 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 23' ' ' HIS . 37.3 mm-40 -71.78 130.04 40.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 22' ' ' GLU . 13.8 m80 -34.26 145.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.552 ' HG3' ' CE1' ' A' ' 26' ' ' TYR . 9.2 pttm -92.52 107.23 19.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 24' ' ' LYS . 23.8 p -34.18 120.37 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.78 ' CE2' ' HB2' ' A' ' 40' ' ' ALA . 31.3 m-85 -99.92 115.35 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.64 ' HA ' HG12 ' A' ' 36' ' ' VAL . 60.1 p -74.87 134.68 41.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.885 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.8 t -56.41 134.32 53.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -95.06 30.99 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.543 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 52.1 t80 -97.88 166.34 11.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.543 ' N ' ' CG ' ' A' ' 30' ' ' PHE . 68.2 tttt -91.5 94.52 9.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.11 37.7 1.78 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 33.3 t -146.47 127.13 14.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.7 p -123.06 39.69 3.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -106.33 151.69 24.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.64 HG12 ' HA ' ' A' ' 27' ' ' SER . 27.6 m -126.74 172.36 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -150.77 160.72 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mt -65.6 -40.47 92.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.4 m -96.62 156.6 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.78 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . . . -104.86 107.0 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.559 HG11 ' HB2' ' A' ' 55' ' ' ARG . 93.0 t -88.9 93.48 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.491 HD13 ' CA ' ' A' ' 49' ' ' ASN . 31.0 mm -86.07 144.39 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 50.2 t -96.94 125.76 45.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.645 0.736 . . . . 0.0 110.879 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.497 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.75 4.88 1.93 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.746 2.297 . . . . 0.0 112.339 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.543 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 11.8 m-85 -108.7 -61.53 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.2 p -92.78 -8.44 43.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 13.4 mt-10 57.76 47.91 14.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 36.0 mttm -130.49 153.65 48.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.491 ' CA ' HD13 ' A' ' 42' ' ' ILE . 1.4 p30 -91.11 129.81 37.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 33.8 m-85 -132.19 170.79 14.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' HIS . 16.5 p -86.99 151.12 23.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -43.46 -40.09 3.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -64.19 -33.74 76.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 51' ' ' CYS . 44.5 m170 -119.11 33.72 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.559 ' HB2' HG11 ' A' ' 41' ' ' VAL . 19.8 ptt180 -71.59 -41.95 68.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.446 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 41.7 m170 -56.36 166.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.543 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 31.1 mt-30 -70.21 -74.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.5 p -46.11 -41.03 11.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -47.04 -51.37 17.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.492 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 2.7 p-80 -95.49 25.78 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.6 t0 45.59 51.17 10.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.0 t -44.65 102.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -44.81 -39.97 5.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 29.3 mmmt -49.47 -43.45 45.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 57' ' ' GLN . 64.0 mt -49.23 179.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -119.35 69.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 67' ' ' VAL . 32.9 m -64.24 125.13 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.02 38.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.052 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.22 136.72 53.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.576 0.703 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -12.54 33.15 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.327 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.64 134.34 53.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -174.91 176.45 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.27 172.43 7.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -130.7 -63.4 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.049 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.6 m -143.39 115.88 8.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -84.68 156.84 21.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? -87.16 83.86 7.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.2 tp -134.67 87.68 2.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 79' ' ' VAL . 11.4 p -119.58 41.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -61.56 146.35 49.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.4 p -100.14 -57.63 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.61 140.49 9.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 117.14 4.9 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.349 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.4 t -100.66 90.5 4.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.0 p -122.29 142.97 49.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.074 -0.848 . . . . 0.0 112.517 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.7 p -174.53 166.69 3.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 m -123.7 165.54 17.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.4 66.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -138.33 141.72 39.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -168.45 144.79 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.2 -119.37 1.74 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.453 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.2 t -174.66 133.9 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.358 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.5 p -157.81 143.29 17.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -162.97 167.04 23.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.4 t -142.48 111.09 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -141.69 108.17 5.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.6 t -129.7 123.85 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 p -94.94 131.98 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -149.85 141.63 23.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -98.77 86.01 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -92.77 123.67 60.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.741 . . . . 0.0 110.85 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 109.98 2.44 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -105.36 138.62 41.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.0 p -60.95 147.08 44.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -100.2 43.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -63.68 170.44 3.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -45.51 166.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -63.34 149.96 44.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.3 p -156.31 127.04 6.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.817 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.555 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 87.6 m-85 -110.11 139.84 44.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.705 ' HA ' HG12 ' A' ' 36' ' ' VAL . 3.7 m -89.23 131.18 35.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.827 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.1 t -61.05 146.6 46.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -105.51 35.97 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.793 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.42 ' CD1' ' HA ' ' A' ' 60' ' ' HIS . 79.0 t80 -103.36 155.7 18.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -81.9 92.26 6.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.81 38.2 1.6 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.513 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.1 t -141.51 133.45 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.5 p -130.15 37.05 3.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -106.69 144.93 32.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.705 HG12 ' HA ' ' A' ' 27' ' ' SER . 33.6 m -126.45 164.26 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -145.23 156.42 43.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.86 -43.29 65.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -93.13 170.95 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.555 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -121.33 92.27 3.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.845 HG11 ' HB2' ' A' ' 55' ' ' ARG . 58.1 t -69.19 101.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.112 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' A' ' 49' ' ' ASN . 44.8 mm -96.42 137.63 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 51.3 t -86.06 123.55 71.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.616 0.722 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.516 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.8 Cg_endo -69.78 6.24 1.39 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.337 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.549 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 15.7 m-85 -110.81 -59.0 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.959 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.2 p -96.34 -10.03 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 32.3 mt-10 58.29 48.3 12.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 27.1 mttm -123.22 147.16 47.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.506 ' OD1' ' HB1' ' A' ' 40' ' ' ALA . 29.1 t30 -86.27 129.16 34.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 51.5 m-85 -134.25 176.43 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 54' ' ' HIS . 29.9 p -94.46 148.0 22.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.2 mm? -35.26 -40.45 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -63.2 -46.41 87.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' CYS . 25.6 m170 -103.02 31.87 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.845 ' HB2' HG11 ' A' ' 41' ' ' VAL . 17.3 ptt85 -73.4 -36.58 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.501 ' N ' ' OD2' ' A' ' 59' ' ' ASP . 39.2 m170 -56.7 -174.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.549 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 13.0 mt-30 -96.98 -48.24 5.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 t -83.48 36.78 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.501 ' OD2' ' N ' ' A' ' 56' ' ' HIS . 46.8 p-10 -127.95 -35.3 2.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.475 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 5.2 p-80 -104.78 23.07 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 61' ' ' ASP . 15.5 t0 52.02 47.95 23.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.513 ' HB3' HD12 ' A' ' 65' ' ' LEU . 13.1 t -44.15 122.74 3.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.06 -35.54 81.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.439 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.5 mmmp? -62.03 -42.89 99.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.513 HD12 ' HB3' ' A' ' 62' ' ' CYS . 12.8 mt -40.36 158.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -101.1 49.71 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.0 t -72.12 145.48 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 69' ' ' LYS . . . -90.51 139.78 30.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER 33.72 54.29 1.37 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.528 0.68 . . . . 0.0 110.892 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 69' ' ' LYS . 53.6 Cg_endo -69.75 0.71 5.24 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -92.75 41.79 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.4 ttt -104.94 45.45 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -132.95 92.72 3.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -124.61 95.4 4.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.8 t -145.29 132.27 20.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -115.27 108.77 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.4 pttt -157.12 111.7 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 tt -50.7 127.17 17.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 79' ' ' VAL . 27.6 m -117.58 119.16 60.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.411 ' C ' ' HD3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -145.99 139.01 25.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 61.6 p -151.32 132.21 14.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.821 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.62 -142.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 150.98 69.2 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.349 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.9 t -124.65 149.97 46.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 t -71.82 94.05 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.192 -0.782 . . . . 0.0 112.485 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 p -96.72 116.58 29.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 110.89 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -148.01 144.67 28.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.01 65.15 0.54 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.82 160.58 14.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.871 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -89.04 -61.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.73 71.14 1.32 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.468 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.7 p -97.77 43.89 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -105.28 136.19 45.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -95.74 150.4 20.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.6 t -129.86 132.84 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -95.23 112.72 24.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.0 t -118.56 101.1 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 14' ' ' VAL . 11.6 p -86.6 119.22 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -56.45 107.88 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -101.77 111.06 23.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -107.77 125.66 31.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.662 0.744 . . . . 0.0 110.836 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 175.11 8.57 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.311 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -121.89 149.43 43.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.9 p -126.57 118.5 24.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -168.35 124.59 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -118.72 105.25 11.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -138.95 146.17 40.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.801 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -109.17 151.51 26.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.1 m -125.65 131.86 52.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.484 ' HB3' ' ND2' ' A' ' 49' ' ' ASN . 87.2 m-85 -115.0 126.65 55.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.4 m -79.84 134.74 36.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.3 t -52.95 157.64 1.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.582 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 44.2 m -86.9 -21.66 26.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -62.77 120.02 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -68.63 86.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.21 -29.76 2.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.431 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.488 ' O ' ' C ' ' A' ' 34' ' ' THR . 52.7 t -61.01 -26.73 67.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.94 0.4 . . . . 0.0 110.909 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.488 ' C ' ' O ' ' A' ' 33' ' ' CYS . 40.2 p 30.93 54.98 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.436 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 14.1 t0 -116.62 173.21 6.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.2 m -148.05 165.61 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.628 ' OE1' HD23 ' A' ' 52' ' ' LEU . 77.4 mm-40 -155.5 150.23 26.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.1 -40.32 70.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.3 m -105.33 -178.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.431 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -116.87 94.04 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.489 HG11 ' HB2' ' A' ' 55' ' ' ARG . 88.1 t -76.18 96.13 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 49' ' ' ASN . 45.6 mm -90.14 138.35 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 50.3 t -86.12 125.83 67.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 110.864 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.557 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.8 6.5 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.321 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.62 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 22.2 m-85 -112.33 -63.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.5 p -90.84 -10.21 43.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 36.5 mt-10 57.77 47.91 14.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 33.5 mttt -126.24 147.95 49.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.484 ' ND2' ' HB3' ' A' ' 26' ' ' TYR . 21.5 t30 -84.82 123.78 30.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 29' ' ' SER . 56.0 m-85 -127.22 175.02 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 54' ' ' HIS . 21.7 p -92.89 146.65 23.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.628 HD23 ' OE1' ' A' ' 37' ' ' GLU . 4.4 mm? -35.85 -35.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -65.63 -45.96 81.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 51' ' ' CYS . 3.7 m-70 -105.4 34.17 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.489 ' HB2' HG11 ' A' ' 41' ' ' VAL . 35.5 ptt180 -69.69 -36.1 75.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.401 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 3.6 m170 -69.66 164.32 23.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.62 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 40.8 mt-30 -66.69 -74.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.2 p -43.38 -42.41 4.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' CG ' ' HB2' ' A' ' 56' ' ' HIS . 8.8 m-20 -45.45 -50.79 12.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.494 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.7 p-80 -98.18 29.96 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 41.01 52.24 3.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.3 t -42.53 113.29 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 19.5 pt-20 -61.01 -38.57 86.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 28.4 mmmt -48.25 -43.75 32.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 70.6 mt -44.97 162.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -89.4 46.98 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -161.41 144.56 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -123.52 123.24 40.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -45.44 146.15 1.78 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.549 0.69 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -14.78 36.59 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.695 2.263 . . . . 0.0 112.349 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -84.31 85.42 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.415 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -90.26 -30.38 17.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.415 ' N ' ' HG2' ' A' ' 72' ' ' MET . . . -136.19 162.44 32.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -123.99 -57.53 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.2 p -129.98 159.44 36.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -100.33 107.58 19.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -153.85 115.26 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.9 mt -86.37 143.27 27.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 79' ' ' VAL . 13.3 m -135.55 116.11 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -129.53 91.4 3.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -143.07 137.18 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -97.44 145.1 17.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 86.94 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.246 . . . . 0.0 112.358 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.8 t -89.77 -54.48 4.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.6 t -115.28 101.51 9.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 CA-C-O 119.192 -0.782 . . . . 0.0 112.476 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t 41.66 42.16 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -56.13 136.35 52.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.71 131.21 1.79 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.453 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -155.61 120.29 4.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 7' ' ' GLY . 30.2 p -150.14 145.29 26.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.76 119.06 0.3 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.3 m -66.85 99.12 0.59 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.851 0.358 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 m -140.41 122.37 15.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -78.24 149.31 33.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.1 t -152.54 106.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -136.28 150.36 48.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.6 p -125.81 146.94 30.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.093 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 m -110.93 87.28 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 16' ' ' GLU . 9.6 mtmp? -114.73 36.68 3.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' LYS . 34.1 mm-40 -35.75 110.78 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.85 143.96 20.97 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.623 0.725 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 171.22 14.79 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.393 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -125.57 128.71 48.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.2 p -131.14 83.26 2.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.91 74.2 1.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -173.2 146.4 1.43 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 13.6 p80 -151.85 115.88 4.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.58 140.06 58.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.5 p -141.77 124.59 16.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.533 ' CD2' ' HB2' ' A' ' 40' ' ' ALA . 43.1 m-85 -105.25 123.91 48.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.856 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.661 ' HA ' HG12 ' A' ' 36' ' ' VAL . 90.8 p -70.43 129.37 39.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.877 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.9 t -50.38 143.03 9.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.418 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 2.9 m -85.13 27.64 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -112.47 122.8 48.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -74.02 81.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 134.08 30.17 0.43 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 34' ' ' THR . 45.1 t -123.42 -24.26 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.915 0.388 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 33' ' ' CYS . 39.8 p 32.51 54.41 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.11 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -129.78 152.87 48.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.661 HG12 ' HA ' ' A' ' 27' ' ' SER . 35.7 m -136.47 169.45 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -151.09 155.0 38.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -58.76 -41.33 86.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -100.93 168.48 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.533 ' HB2' ' CD2' ' A' ' 26' ' ' TYR . . . -109.65 98.2 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.633 HG11 ' HB2' ' A' ' 55' ' ' ARG . 88.5 t -79.75 89.1 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.108 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.466 HD13 ' CA ' ' A' ' 49' ' ' ASN . 36.9 mm -80.78 145.51 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 50.9 t -98.12 126.68 39.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.609 0.718 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.54 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.77 6.07 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.67 2.246 . . . . 0.0 112.332 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.566 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 21.1 m-85 -111.58 -63.33 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.4 p -90.28 -8.16 51.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 23.6 mt-10 56.29 49.12 15.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 61.7 mttt -131.47 151.77 51.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.466 ' CA ' HD13 ' A' ' 42' ' ' ILE . 1.2 p30 -89.94 126.28 35.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 39.5 m-85 -128.06 168.11 15.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 54' ' ' HIS . 20.6 p -82.58 145.59 29.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.4 mm? -36.53 -41.0 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -61.95 -42.55 99.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 51' ' ' CYS . 4.8 m-70 -109.02 35.92 3.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.633 ' HB2' HG11 ' A' ' 41' ' ' VAL . 26.0 ptt180 -71.65 -40.22 69.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.447 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 25.4 t60 -63.43 164.08 9.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.566 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 40.1 mt-30 -66.94 -75.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 m -43.94 -42.0 5.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -47.41 -51.42 20.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.531 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.1 p-80 -96.37 28.23 3.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 43.69 50.48 6.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.6 t -43.62 102.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 14.2 pt-20 -45.86 -44.32 14.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 31.1 mmmt -43.96 -47.75 8.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.6 mt -39.94 160.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -81.23 41.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.5 p -150.9 136.45 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -104.43 177.33 4.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.449 ' CD ' ' HB2' ' A' ' 71' ' ' ARG . 1.8 pptp? -117.75 128.33 26.07 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.597 0.713 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 76.5 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.665 2.243 . . . . 0.0 112.375 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.449 ' HB2' ' CD ' ' A' ' 69' ' ' LYS . 48.0 mtt85 -153.17 139.07 18.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -170.19 136.17 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.12 107.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.73 154.0 30.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 75' ' ' THR . 8.9 t -50.62 112.93 0.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -79.6 176.5 9.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.0 147.26 34.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.5 tp -106.54 149.47 27.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.4 m -138.9 137.7 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -150.76 137.7 19.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -114.99 165.52 12.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.7 115.15 5.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 140.85 43.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.26 . . . . 0.0 112.353 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 t -126.01 158.92 34.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 m -93.62 144.29 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.49 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p -165.96 153.71 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.371 . . . . 0.0 110.834 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.3 p -157.54 131.09 7.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.8 165.6 20.15 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.453 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -154.24 158.08 39.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.9 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -164.32 136.26 4.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.19 173.65 37.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.9 t -165.68 149.14 7.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.2 p -162.82 128.31 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -127.93 161.85 28.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.3 t -134.91 136.19 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -140.01 140.16 36.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -174.33 147.52 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 14' ' ' VAL . 14.0 p -113.67 128.9 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -84.69 146.37 27.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -111.55 108.3 17.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -47.75 124.37 10.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 157.65 59.64 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.661 2.241 . . . . 0.0 112.353 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' THR . 46.5 mttm -103.37 -52.66 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' LYS . 39.6 p 34.44 39.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -39.7 110.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -65.73 112.48 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -69.63 102.37 1.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -56.02 135.31 52.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.6 m -151.98 125.55 8.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.49 ' O ' HG12 ' A' ' 36' ' ' VAL . 61.6 m-85 -107.26 135.14 49.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.621 ' HA ' HG12 ' A' ' 36' ' ' VAL . 88.2 p -81.93 137.66 35.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.832 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.4 t -67.58 145.66 54.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -100.67 32.66 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -102.34 136.97 41.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -67.87 94.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.75 35.74 1.82 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.4 t -143.53 130.3 20.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.378 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.7 p -126.63 42.04 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.02 145.62 35.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.621 HG12 ' HA ' ' A' ' 27' ' ' SER . 15.9 m -126.32 171.99 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -150.95 160.65 43.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.3 mt -56.48 -44.89 81.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -94.0 -179.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -125.2 94.93 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.811 HG11 ' HB2' ' A' ' 55' ' ' ARG . 97.8 t -70.47 94.35 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' A' ' 49' ' ' ASN . 43.0 mm -92.15 140.56 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 53.3 t -88.09 124.64 66.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.654 0.74 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.511 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.3 Cg_endo -69.72 5.57 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.376 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.554 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 17.3 m-85 -110.37 -62.78 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.8 p -91.0 -11.76 37.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 35.0 mt-10 60.24 47.49 9.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 60.2 mttt -123.47 152.87 41.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.556 ' HA ' HD13 ' A' ' 42' ' ' ILE . 37.6 t30 -89.54 133.58 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 45.4 m-85 -140.81 174.4 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' HIS . 28.8 p -93.45 151.57 19.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.4 mm? -38.15 -40.81 0.53 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -63.0 -43.76 97.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' CYS . 26.1 m170 -106.25 33.42 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.811 ' HB2' HG11 ' A' ' 41' ' ' VAL . 25.2 ptt180 -76.8 -37.63 55.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.507 ' N ' ' OD2' ' A' ' 59' ' ' ASP . 2.6 t-160 -55.63 -175.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.554 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 12.2 mt-30 -95.59 -48.24 5.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -83.29 35.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.507 ' OD2' ' N ' ' A' ' 56' ' ' HIS . 54.8 p-10 -128.39 -29.63 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.485 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 3.2 p-80 -110.94 25.26 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 t70 48.59 46.64 21.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.2 t -43.02 113.46 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.01 -33.14 66.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.437 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.5 mmmp? -61.82 -44.92 95.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.2 mt -41.73 164.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -89.52 41.33 1.03 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -90.13 142.98 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.44 139.91 41.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.054 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -117.01 141.99 29.21 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.62 0.724 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.413 ' HG2' ' H ' ' A' ' 71' ' ' ARG . 53.5 Cg_endo -69.75 -83.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.329 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.413 ' H ' ' HG2' ' A' ' 70' ' ' PRO . 37.1 ptt85 41.82 42.96 2.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.826 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 71' ' ' ARG . 3.8 ttt -37.63 -45.43 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.9 111.03 1.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.0 150.28 27.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.3 t -113.04 149.08 33.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -66.34 159.5 26.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.949 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -157.71 147.06 19.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 78' ' ' LEU . 4.3 mm? -62.49 99.04 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 87.7 t -144.89 129.4 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -164.05 118.57 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 m -81.46 -60.08 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.74 169.9 15.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.448 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 137.01 34.51 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.5 p -164.2 137.83 5.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.3 m -129.79 142.67 50.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.505 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -169.16 164.99 11.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.918 0.389 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.4 p -125.53 168.39 13.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.53 111.82 0.9 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.453 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.3 p -57.54 156.59 7.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.9 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 m -104.0 -52.14 3.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.42 154.33 8.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.8 m -144.07 118.76 9.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.795 0.331 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.1 p -127.35 135.45 50.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -135.24 177.08 8.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.7 p -172.73 128.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.97 164.88 12.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.0 t -122.01 114.34 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -80.4 137.51 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -139.92 144.13 36.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -164.4 124.46 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -146.16 123.56 6.07 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.67 169.23 19.29 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 20' ' ' THR . 17.1 mmtp -83.43 178.17 8.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 19' ' ' LYS . 92.9 m -33.97 108.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.177 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -87.3 71.16 10.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -148.33 175.37 11.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -60.42 159.22 10.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -62.15 127.68 32.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 94.4 p -133.74 127.11 32.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.466 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 67.1 m-85 -111.88 120.73 42.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.426 ' HA ' HG12 ' A' ' 36' ' ' VAL . 50.7 m -74.48 134.54 42.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.7 t -64.24 132.88 51.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.69 35.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.488 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 24.9 t80 -104.7 152.15 22.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.488 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 34.1 tttt -70.94 100.16 1.91 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.86 41.89 2.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.7 t -160.16 128.52 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.935 0.398 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -124.57 -9.02 7.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -47.71 152.06 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.823 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 27' ' ' SER . 14.4 m -125.29 171.38 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -147.12 156.4 42.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -53.9 -43.03 69.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.4 m -101.1 177.74 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.466 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -121.17 112.81 19.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.738 HG11 ' HB2' ' A' ' 55' ' ' ARG . 90.8 t -90.03 91.84 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.462 HD13 ' CA ' ' A' ' 49' ' ' ASN . 36.9 mm -86.15 144.71 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 53.6 t -96.7 126.29 43.67 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.681 0.753 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.505 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.9 Cg_endo -69.79 5.6 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.64 2.227 . . . . 0.0 112.366 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.533 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 20.1 m-85 -109.76 -64.74 1.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.7 p -88.26 -13.55 40.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 73.2 mt-10 62.51 47.27 5.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.594 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 51.0 mttt -128.43 154.14 46.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.462 ' CA ' HD13 ' A' ' 42' ' ' ILE . 1.3 p30 -92.17 131.88 37.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.594 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 30.9 m-85 -134.54 170.1 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 54' ' ' HIS . 16.2 p -86.8 146.08 26.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.5 mm? -36.1 -42.25 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.407 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 9.9 mmt180 -60.84 -42.48 97.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 51' ' ' CYS . 25.1 m170 -111.12 39.98 2.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.738 ' HB2' HG11 ' A' ' 41' ' ' VAL . 19.5 ptt85 -78.09 -42.11 33.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -57.96 163.34 2.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.533 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 36.4 mt-30 -65.98 -73.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.1 m -45.82 -39.71 8.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.77 -48.01 30.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.529 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.1 p-80 -99.67 33.72 2.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' HIS . 1.1 p30 38.01 49.42 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.7 t -42.26 116.95 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 4.7 pt-20 -62.77 -37.35 86.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 1.4 mmmp? -51.82 -38.89 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 64' ' ' LYS . 41.2 mt -48.06 177.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -76.3 47.29 0.46 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.3 m -98.31 155.31 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.93 113.2 6.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.444 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -143.75 110.39 5.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.697 . . . . 0.0 110.875 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 71' ' ' ARG . 53.8 Cg_endo -69.77 12.54 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.268 . . . . 0.0 112.382 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' A' ' 69' ' ' LYS . 44.5 mtm180 -37.06 122.28 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 29.2 mtt -106.48 178.16 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 53.7 42.72 31.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.45 144.56 33.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.071 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.7 p -48.9 164.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -72.31 151.05 43.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 78' ' ' LEU . 20.2 tptm -38.03 153.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.692 HD23 ' H ' ' A' ' 78' ' ' LEU . 2.6 pt? -97.55 143.19 28.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.8 t -69.91 -50.51 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -53.72 95.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.3 t -138.17 164.63 28.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 179.28 169.8 40.25 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -177.55 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.323 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.5 t -91.65 132.53 36.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 t -86.4 170.19 12.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.46 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m -156.84 147.32 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 p -85.13 177.18 7.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.87 131.35 7.5 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.528 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -112.25 174.75 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.374 . . . . 0.0 110.823 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -138.96 150.53 45.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.06 162.75 11.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.8 t -160.52 123.81 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.4 m -121.1 81.81 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -170.47 168.48 7.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -162.48 145.02 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -115.66 168.45 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.4 p -144.76 144.67 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.8 t -95.61 121.56 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -130.84 81.06 1.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' ARG . 10.3 pt-20 -72.61 116.82 13.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 16' ' ' GLU . 25.4 mmt180 -36.61 152.02 0.1 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.657 0.741 . . . . 0.0 110.832 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 126.61 13.49 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -110.42 86.91 2.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.6 p -119.76 92.48 3.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -133.99 41.98 2.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -129.14 172.43 11.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -109.6 127.08 54.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.2 167.01 22.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.4 p -137.42 128.65 27.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.822 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.785 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 22.3 m-85 -125.96 135.58 52.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.936 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.695 ' HA ' HG12 ' A' ' 36' ' ' VAL . 50.4 m -85.15 143.4 28.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.6 t -63.58 143.35 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.491 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 4.3 t -104.03 33.21 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.493 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 48.1 t80 -101.19 162.08 13.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.493 ' N ' ' CG ' ' A' ' 30' ' ' PHE . 77.3 tttt -86.18 91.05 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.58 37.35 1.31 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.9 t -148.27 131.38 16.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.8 p -127.94 36.0 4.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -100.87 153.24 19.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 27' ' ' SER . 30.0 m -124.96 -177.04 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.418 ' CD ' ' O ' ' A' ' 36' ' ' VAL . 67.9 mm-40 -157.95 160.4 37.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.14 -47.66 77.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -98.66 175.41 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.785 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -116.0 104.38 11.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.484 HG11 ' HB2' ' A' ' 55' ' ' ARG . 93.2 t -80.02 95.79 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.1 mm -89.22 138.75 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 52.7 t -89.14 126.17 59.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.663 0.744 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.539 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.8 Cg_endo -69.75 5.67 1.61 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.715 2.277 . . . . 0.0 112.357 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.548 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 18.8 m-85 -111.27 -63.47 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.6 p -90.31 -7.64 52.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 7.8 mt-10 55.86 43.11 28.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 72.8 mttt -120.46 159.06 25.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.588 ' OD1' ' HB1' ' A' ' 40' ' ' ALA . 6.7 t30 -94.11 132.61 38.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 46.6 m-85 -137.68 177.07 8.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 54' ' ' HIS . 17.0 p -98.12 146.96 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 52' ' ' LEU . 3.8 mm? -38.05 -40.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -62.46 -40.93 98.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 51' ' ' CYS . 31.0 m170 -114.12 37.41 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.484 ' HB2' HG11 ' A' ' 41' ' ' VAL . 21.6 ptt-85 -74.04 -47.39 37.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.401 ' N ' ' CG ' ' A' ' 55' ' ' ARG . 30.7 t-80 -51.79 161.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.548 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 38.4 mt-30 -64.61 -74.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.1 p -44.72 -40.67 6.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.21 -52.23 16.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.536 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.3 p-80 -94.81 25.23 4.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.1 t0 44.06 51.6 7.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.3 t -43.53 112.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.69 -34.22 74.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 2.5 mmmp? -53.93 -43.69 69.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.9 mt -39.73 160.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -122.17 72.77 1.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 68' ' ' ALA . 98.2 t -106.98 134.49 48.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . -35.67 104.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.426 ' C ' ' H ' ' A' ' 71' ' ' ARG . 29.2 mttt -116.07 160.45 35.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.556 0.693 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 71' ' ' ARG . 53.8 Cg_endo -69.76 11.77 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.426 ' H ' ' C ' ' A' ' 69' ' ' LYS . 59.5 mtm180 -42.61 167.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.6 mtp -44.21 167.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 74' ' ' ALA . . . -129.1 153.35 47.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 73' ' ' ALA . . . 67.43 42.27 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.4 m -55.98 120.2 7.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -58.01 115.44 2.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -169.88 147.46 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -57.93 109.45 0.73 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.4 m -146.36 131.53 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -158.46 130.76 6.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.2 m -99.44 178.15 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.55 -166.31 36.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.72 14.99 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.663 2.242 . . . . 0.0 112.34 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.6 p -100.99 175.61 5.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.796 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.9 t -107.48 152.06 24.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.468 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 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 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -143.94 168.4 20.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.379 . . . . 0.0 110.841 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.0 p -126.59 177.51 6.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.52 73.76 0.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 t -165.03 151.39 10.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.897 0.38 . . . . 0.0 110.844 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 p -75.9 164.97 25.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.37 166.67 49.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.1 p -135.58 149.08 49.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.348 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.5 p -126.26 134.23 51.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -92.88 164.56 13.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 11' ' ' VAL . 8.0 p -161.1 126.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -169.97 151.51 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.5 p -173.83 142.49 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.8 m -80.54 146.74 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -91.39 138.36 31.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -59.54 128.2 35.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -85.17 121.28 73.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.7 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 119.42 6.37 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -75.77 114.68 14.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.8 p -100.59 172.07 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -128.93 158.29 39.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -108.69 100.72 9.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -130.81 118.54 20.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.83 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -85.6 151.43 23.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.0 p -137.87 126.59 23.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.52 ' CE1' ' HB2' ' A' ' 40' ' ' ALA . 52.2 m-85 -112.62 141.13 46.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.5 p -90.69 130.46 36.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.6 t -56.14 145.7 25.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 t -105.66 36.6 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -106.29 152.0 24.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -77.31 96.29 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.39 41.36 1.64 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.7 t -145.66 127.33 15.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.939 0.399 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.4 p -124.97 39.89 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.122 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -108.54 150.53 27.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.496 ' C ' ' CD ' ' A' ' 37' ' ' GLU . 22.9 m -123.06 165.52 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.496 ' CD ' ' C ' ' A' ' 36' ' ' VAL . 14.4 mp0 -144.83 151.75 39.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mt -54.32 -47.61 72.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -90.22 176.63 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.52 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . . . -123.43 96.79 5.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.652 HG11 ' HB2' ' A' ' 55' ' ' ARG . 72.5 t -76.39 100.17 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.1 mm -93.84 143.56 11.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 48.3 t -94.17 126.52 48.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.721 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.518 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.0 Cg_endo -69.76 5.94 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.731 2.288 . . . . 0.0 112.349 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.548 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 18.1 m-85 -112.16 -63.13 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.8 p -90.87 -7.89 50.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 27.9 mt-10 54.3 46.39 25.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 30.5 mttm -122.74 153.5 39.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -90.4 129.77 36.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 44.4 m-85 -133.31 175.18 9.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 54' ' ' HIS . 21.7 p -94.93 146.64 24.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.6 mm? -34.96 -42.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -60.53 -45.56 93.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 51' ' ' CYS . 26.9 m170 -106.61 35.89 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.652 ' HB2' HG11 ' A' ' 41' ' ' VAL . 32.8 ptt-85 -77.45 -43.19 33.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -57.54 158.02 6.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.548 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 12.2 mt-30 -65.25 -52.07 56.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.3 m -82.18 39.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -134.63 -35.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -103.52 22.4 14.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.823 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 52.4 48.69 22.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.471 ' HB3' HD12 ' A' ' 65' ' ' LEU . 8.8 t -43.75 117.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.45 ' HG2' ' N ' ' A' ' 64' ' ' LYS . 21.1 pm0 -66.63 -30.94 71.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.45 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 2.2 mmmp? -61.24 -43.5 98.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.471 HD12 ' HB3' ' A' ' 62' ' ' CYS . 17.5 mt -41.62 159.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -79.72 46.0 0.74 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.3 m -113.81 77.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -123.14 97.43 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.4 127.43 80.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.614 0.721 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 5.96 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 72' ' ' MET . 29.6 mtm180 -94.45 150.63 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 71' ' ' ARG . 7.8 mtt -37.36 146.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -132.64 146.24 51.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.82 87.16 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.0 m -120.73 100.48 7.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -117.3 142.97 46.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -73.0 137.76 45.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.15 102.64 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 80' ' ' ARG . 8.2 p -47.93 -42.5 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.456 ' N ' HG13 ' A' ' 79' ' ' VAL . 56.7 ttp180 -92.79 111.01 22.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.4 t -173.5 131.14 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.93 72.81 0.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -169.59 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.9 t -51.55 104.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.1 t 46.47 48.56 13.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.541 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.635 ' CE2' ' HB2' ' A' ' 40' ' ' ALA . 36.5 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.897 0.38 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.879 ' HA ' HG12 ' A' ' 36' ' ' VAL . 60.6 p -85.11 146.17 27.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.9 t -69.29 141.23 54.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.812 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.848 0.356 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.879 HG12 ' HA ' ' A' ' 27' ' ' SER . 32.0 m -128.15 170.39 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -150.5 159.06 44.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -56.87 -46.47 81.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.8 m -88.82 170.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.635 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . . . -118.33 95.38 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.641 HG11 ' HB2' ' A' ' 55' ' ' ARG . 97.4 t -74.16 101.92 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' A' ' 49' ' ' ASN . 37.9 mm -96.32 143.18 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 42.1 t -92.44 124.91 57.91 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.531 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.71 6.18 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.362 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.542 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 18.7 m-85 -111.03 -63.24 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.3 p -90.78 -7.73 51.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 37.9 mt-10 55.46 50.27 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 42.8 mttm -128.99 155.71 44.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.5 ' HA ' HD13 ' A' ' 42' ' ' ILE . 14.3 t30 -90.93 133.38 35.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 44.4 m-85 -138.61 173.63 11.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' HIS . 17.6 p -93.13 152.01 19.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 52' ' ' LEU . 3.3 mm? -43.74 -39.42 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -65.0 -33.71 76.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 51' ' ' CYS . 39.4 m170 -119.97 35.92 4.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.641 ' HB2' HG11 ' A' ' 41' ' ' VAL . 14.0 ptt180 -74.97 -35.9 62.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.436 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 2.5 m170 -59.58 160.55 6.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.542 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 37.6 mt-30 -64.49 -75.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.1 t -49.99 -37.26 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.5 -50.89 29.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.523 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.5 p-80 -93.67 18.55 9.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.8 t70 55.84 52.44 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.2 t -44.28 124.54 4.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -67.4 -30.23 69.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.432 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 16.5 mmmt -66.53 -44.22 83.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LYS . 15.6 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.626 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 48.3 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.887 0.375 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.2 p -85.69 130.12 34.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.3 t -43.19 166.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 3.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.878 0.371 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.453 ' C ' ' CD ' ' A' ' 37' ' ' GLU . 17.3 m -118.58 162.27 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.114 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.453 ' CD ' ' C ' ' A' ' 36' ' ' VAL . 12.1 mp0 -145.91 145.52 30.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 mt -48.12 -47.87 34.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -97.28 178.7 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.626 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -119.45 98.05 5.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.513 HG11 ' HB2' ' A' ' 55' ' ' ARG . 86.3 t -75.85 95.86 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.3 mm -87.98 142.12 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 53.9 t -95.11 125.81 49.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.617 0.723 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.536 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.2 Cg_endo -69.72 5.89 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.536 ' CE1' ' HG2' ' A' ' 44' ' ' PRO . 17.9 m-85 -110.68 -60.91 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.1 p -93.47 -9.77 37.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 47.7 mt-10 56.95 43.84 23.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 25.9 mttp -122.16 152.96 39.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.473 ' OD1' ' HB1' ' A' ' 40' ' ' ALA . 19.8 t30 -87.71 128.57 35.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 48.4 m-85 -132.96 172.37 12.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' HIS . 24.7 p -93.3 149.45 21.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.5 mm? -37.33 -40.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -62.55 -42.59 99.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 51' ' ' CYS . 41.2 m170 -108.11 36.85 2.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.513 ' HB2' HG11 ' A' ' 41' ' ' VAL . 25.6 ptt180 -75.29 -39.99 59.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.437 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 20.2 m170 -63.72 160.67 16.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.535 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 38.7 mt-30 -64.34 -69.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.2 t -49.05 -40.95 33.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.437 ' CG ' ' HB2' ' A' ' 56' ' ' HIS . 11.1 m-20 -47.55 -52.23 18.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.0 p-80 -95.07 26.26 3.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 40.89 54.27 3.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.6 t -43.71 116.21 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -61.68 -30.25 70.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 27.9 mmmt -57.8 -44.31 86.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.3 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.918 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CD2' ' HB2' ' A' ' 40' ' ' ALA . 90.7 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.829 0.347 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.474 ' HA ' HG12 ' A' ' 36' ' ' VAL . 24.5 p -81.25 145.94 30.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.6 t -73.98 143.31 45.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 49' ' ' ASN . 4.5 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 27' ' ' SER . 25.0 m -137.55 168.36 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -155.73 154.03 30.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.0 mt -57.01 -39.99 75.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.4 m -102.09 167.53 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.528 ' HB2' ' CD2' ' A' ' 26' ' ' TYR . . . -107.49 93.34 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.566 HG11 ' HB2' ' A' ' 55' ' ' ARG . 91.2 t -72.6 96.96 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 49' ' ' ASN . 33.1 mm -91.47 137.54 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 45.9 t -87.33 123.78 69.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.727 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.524 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.4 Cg_endo -69.82 5.86 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.318 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.625 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 21.7 m-85 -110.33 -60.33 1.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.3 p -94.57 -6.05 44.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 26.3 mt-10 55.47 46.4 23.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 22.3 mttp -124.22 153.01 42.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.492 ' HA ' HD13 ' A' ' 42' ' ' ILE . 32.4 t30 -89.77 130.15 36.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 57.5 m-85 -135.34 174.73 10.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' HIS . 27.8 p -92.96 150.68 20.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -38.4 -39.95 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -64.87 -40.72 95.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' CYS . 62.5 m170 -106.83 31.27 5.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.566 ' HB2' HG11 ' A' ' 41' ' ' VAL . 11.9 ptt180 -70.41 -35.38 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.416 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 63.9 m80 -67.17 166.65 13.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.625 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 41.7 mt-30 -73.29 -71.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -47.55 -39.43 16.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -47.31 -52.39 16.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.508 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 4.0 p-80 -94.44 21.96 6.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 51.34 51.23 17.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.8 t -45.6 121.71 3.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 12.8 pt-20 -64.96 -43.5 92.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.9 mmmp? -47.33 -37.86 11.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.1 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.705 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 63.2 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.853 0.359 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.506 ' HA ' HG12 ' A' ' 36' ' ' VAL . 74.0 m -76.68 129.14 35.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -48.95 167.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.418 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 26.6 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.815 0.34 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 27' ' ' SER . 31.2 m -115.22 159.78 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.495 ' CD ' ' C ' ' A' ' 36' ' ' VAL . 13.2 mp0 -140.13 152.51 46.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 mt -50.52 -45.06 56.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.8 m -102.24 175.78 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.705 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -118.57 109.39 16.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.071 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.827 HG11 ' HB2' ' A' ' 55' ' ' ARG . 91.4 t -86.19 95.2 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.451 HD13 ' CA ' ' A' ' 49' ' ' ASN . 25.8 mm -84.76 143.93 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 43.0 t -98.63 126.41 39.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.517 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.4 Cg_endo -69.76 5.61 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.626 2.218 . . . . 0.0 112.358 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.552 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 16.9 m-85 -110.69 -63.23 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.8 p -90.82 -6.54 54.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 2.9 mm-40 54.53 46.8 24.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 51.6 mttm -127.22 150.47 49.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.451 ' CA ' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -89.78 128.8 36.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 33.0 m-85 -129.93 171.95 12.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 54' ' ' HIS . 24.8 p -87.53 146.77 25.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.5 mm? -35.67 -41.45 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -61.89 -44.66 96.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 51' ' ' CYS . 42.8 m170 -106.44 33.92 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.827 ' HB2' HG11 ' A' ' 41' ' ' VAL . 6.7 ptm180 -72.57 -44.89 61.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.467 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 7.2 t-80 -57.45 165.35 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.552 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 34.9 mt-30 -68.23 -74.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 t -45.51 -40.65 8.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -46.45 -51.94 14.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.496 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 2.8 p-80 -94.6 27.27 3.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 40.5 53.71 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.2 t -44.44 119.05 1.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -62.22 -37.6 85.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.434 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 18.9 mmmt -53.64 -42.49 67.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.687 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 80.8 m-85 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.889 0.375 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.817 ' HA ' HG12 ' A' ' 36' ' ' VAL . 2.3 m -67.31 141.77 57.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.5 t -71.43 141.06 50.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.534 ' OG ' ' CE2' ' A' ' 50' ' ' PHE . 60.8 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.881 0.372 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.817 HG12 ' HA ' ' A' ' 27' ' ' SER . 30.2 m -127.17 168.88 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' OE2' HD23 ' A' ' 52' ' ' LEU . 5.3 mm-40 -145.96 157.11 43.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mt -56.0 -41.89 75.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.8 m -94.99 168.2 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.687 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -114.77 104.03 11.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.664 HG11 ' HB2' ' A' ' 55' ' ' ARG . 93.4 t -83.02 95.1 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 34.0 mm -87.8 143.16 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 49.7 t -96.5 125.99 45.21 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.644 0.735 . . . . 0.0 110.895 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.533 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.0 Cg_endo -69.8 6.17 1.43 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.647 2.231 . . . . 0.0 112.311 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.536 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 19.8 m-85 -111.02 -63.6 1.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.9 p -90.44 -7.79 52.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 35.9 mt-10 55.16 45.33 26.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 50.5 mttm -123.36 158.73 30.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.533 ' OD1' ' HB1' ' A' ' 40' ' ' ALA . 6.5 t30 -95.18 124.88 39.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 26.5 m-85 -127.83 173.95 9.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 54' ' ' HIS . 18.6 p -94.74 147.54 23.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.832 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.5 mm? -36.35 -40.71 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -62.11 -43.34 99.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 51' ' ' CYS . 25.2 m170 -111.7 40.74 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.664 ' HB2' HG11 ' A' ' 41' ' ' VAL . 33.4 ptt180 -77.41 -42.79 34.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.41 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 94.4 m-70 -58.14 162.58 3.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.536 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 36.2 mt-30 -64.92 -76.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.0 m -45.46 -38.71 6.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.41 ' CG ' ' HB2' ' A' ' 56' ' ' HIS . 8.3 m-20 -48.67 -48.96 39.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.485 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 2.7 p-80 -98.54 33.17 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 39.94 48.23 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.6 t -43.52 110.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -55.32 -48.02 74.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 29.1 mmmt -40.06 -45.11 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.3 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.898 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.705 ' CE2' ' HB2' ' A' ' 40' ' ' ALA . 83.6 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.903 0.382 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 96.0 p -74.86 127.33 32.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 38.7 t -50.85 136.94 21.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.889 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.87 0.367 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.3 m -115.27 176.64 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -151.9 151.53 31.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.55 -41.63 63.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -105.81 -179.56 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.127 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.705 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . . . -116.63 113.09 22.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.624 HG11 ' HB2' ' A' ' 55' ' ' ARG . 92.0 t -91.94 89.24 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.48 HD13 ' CA ' ' A' ' 49' ' ' ASN . 26.7 mm -84.29 140.38 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.1 t -93.4 125.19 55.09 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.63 0.729 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.507 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.7 Cg_endo -69.77 5.27 1.77 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.585 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 15.4 m-85 -108.9 -62.14 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.3 p -92.11 -7.67 47.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 57.42 49.22 13.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 28.4 mttp -132.71 152.71 51.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.48 ' CA ' HD13 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -92.11 132.92 36.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 41.5 m-85 -134.3 171.62 14.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 54' ' ' HIS . 20.3 p -86.01 149.4 25.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -41.63 -38.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -64.61 -37.41 87.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 51' ' ' CYS . 38.9 m170 -114.78 29.84 7.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.624 ' HB2' HG11 ' A' ' 41' ' ' VAL . 29.2 ptt180 -66.2 -42.49 88.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -56.3 168.37 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.585 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 39.6 mt-30 -73.36 -73.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.1 m -46.43 -36.9 6.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -49.46 -52.25 30.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.497 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.2 p-80 -93.8 17.88 11.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 55.6 51.5 12.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.6 t -44.29 100.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -46.28 -33.28 3.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.6 mmmp? -59.25 -44.44 92.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.843 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 70.4 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.513 ' HA ' HG12 ' A' ' 36' ' ' VAL . 92.7 p -93.7 129.08 40.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.0 t -52.07 138.32 25.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.83 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.82 0.343 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 27' ' ' SER . 29.1 m -127.24 167.45 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -146.29 157.41 43.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -49.54 -44.11 46.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.2 m -108.82 -178.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.843 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -120.43 110.56 16.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.774 HG11 ' HB2' ' A' ' 55' ' ' ARG . 97.2 t -77.91 90.16 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.425 HD13 ' CA ' ' A' ' 49' ' ' ASN . 32.1 mm -78.83 134.13 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 41.9 t -85.95 125.76 67.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.601 0.715 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.543 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.2 Cg_endo -69.68 6.26 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.559 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 22.2 m-85 -111.82 -60.61 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.976 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.3 p -94.91 -4.81 46.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 5.8 mm-40 55.24 48.44 19.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 36.1 mttm -127.26 149.25 50.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.425 ' CA ' HD13 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -88.0 132.34 34.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 52.6 m-85 -136.26 175.97 9.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.5 p -92.64 152.36 19.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -45.36 -38.03 5.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -66.85 -31.3 71.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -122.44 34.91 5.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.774 ' HB2' HG11 ' A' ' 41' ' ' VAL . 21.9 ptt180 -75.23 -36.98 61.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.421 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 4.6 m170 -57.88 163.62 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.559 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 37.6 mt-30 -68.34 -73.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.4 m -49.97 -37.78 33.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.88 -48.2 51.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 2.2 p-80 -95.47 20.56 9.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.7 t70 50.97 54.31 11.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.6 t -47.66 126.87 10.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.9 pm0 -73.94 -23.55 59.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.436 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.9 mmmp? -67.65 -41.72 83.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.2 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.906 0.384 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.671 ' HA ' HG12 ' A' ' 36' ' ' VAL . 54.3 p -78.84 133.17 37.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.7 t -61.22 140.4 57.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.829 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.671 HG12 ' HA ' ' A' ' 27' ' ' SER . 29.9 m -128.68 169.96 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -145.47 155.04 42.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mt -55.3 -39.26 69.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.6 m -103.13 171.06 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.48 112.38 22.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.881 HG11 ' HB2' ' A' ' 55' ' ' ARG . 97.5 t -89.5 90.79 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.7 mm -82.08 139.66 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 46.3 t -92.25 125.27 57.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.5 Cg_endo -69.71 6.37 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.532 ' CE1' ' HG2' ' A' ' 44' ' ' PRO . 24.7 m-85 -111.81 -61.54 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.8 p -93.52 -5.05 49.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 6.5 mt-10 54.84 45.63 26.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 45.2 mttm -123.65 153.54 40.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.89 131.0 39.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 37.9 m-85 -132.45 174.97 9.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 54' ' ' HIS . 27.7 p -90.97 146.13 24.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.2 mm? -36.17 -39.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.448 ' HG3' ' CD2' ' A' ' 54' ' ' HIS . 8.0 tpm_? -63.28 -44.48 94.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' CYS . 30.2 m170 -107.25 34.31 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.881 ' HB2' HG11 ' A' ' 41' ' ' VAL . 23.5 ptt180 -74.59 -42.12 59.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.415 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 57.0 m-70 -55.34 167.44 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.681 ' HB3' HD11 ' A' ' 65' ' ' LEU . 19.3 mt-30 -75.76 -49.18 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.2 t -82.56 38.7 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -133.74 -34.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.462 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 2.4 p-80 -104.31 23.49 13.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.7 t70 50.14 50.76 18.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.411 ' HB3' HD12 ' A' ' 65' ' ' LEU . 9.0 t -47.56 115.15 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 64' ' ' LYS . 23.3 pm0 -63.88 -28.92 70.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.414 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 48.6 mmtt -68.71 -44.57 73.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.681 HD11 ' HB3' ' A' ' 57' ' ' GLN . 12.4 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.55 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 75.7 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.869 0.366 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.474 ' HA ' HG12 ' A' ' 36' ' ' VAL . 37.4 m -89.47 133.45 34.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.2 t -57.03 136.96 56.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.839 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.813 0.34 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 27' ' ' SER . 29.6 m -119.87 171.74 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -152.22 147.25 26.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -48.76 -43.04 37.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.44 167.17 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.55 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -109.88 109.01 19.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.069 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.652 HG11 ' HB2' ' A' ' 55' ' ' ARG . 94.4 t -83.17 91.66 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.528 HD13 ' CA ' ' A' ' 49' ' ' ASN . 33.9 mm -83.99 141.41 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 46.9 t -90.17 126.5 56.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.587 0.708 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.551 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.0 Cg_endo -69.77 6.64 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.639 2.226 . . . . 0.0 112.388 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.557 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 22.3 m-85 -112.56 -63.75 1.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.2 p -89.95 -12.02 40.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 22.0 mt-10 61.3 50.35 4.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 24.2 mttm -128.8 144.94 51.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.528 ' CA ' HD13 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -84.8 131.27 34.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.829 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 61.5 m-85 -135.0 175.89 9.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 54' ' ' HIS . 19.2 p -93.22 146.12 23.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -37.98 -41.49 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -61.98 -40.03 94.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 51' ' ' CYS . 34.8 m170 -113.81 38.16 3.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.652 ' HB2' HG11 ' A' ' 41' ' ' VAL . 11.8 ptt180 -78.83 -37.12 41.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.486 ' CD2' ' H ' ' A' ' 57' ' ' GLN . 9.2 t-160 -53.3 167.78 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 17.5 mt-30 -78.81 -47.38 16.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.4 m -81.06 18.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.83 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.0 -38.27 5.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -104.43 29.47 6.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.9 t70 45.49 48.71 10.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 10.6 t -41.38 130.37 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -78.05 -23.97 47.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -87.38 26.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.0 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.605 ' CE2' ' HB2' ' A' ' 40' ' ' ALA . 87.2 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.88 0.372 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.413 ' HA ' HG12 ' A' ' 36' ' ' VAL . 83.9 p -88.82 130.04 35.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.0 t -53.53 144.43 17.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.473 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 6.7 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.894 0.378 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' A' ' 27' ' ' SER . 27.9 m -135.25 163.57 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -150.24 151.62 33.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.35 -32.1 70.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.2 m -105.54 163.9 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.605 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . . . -110.46 103.8 12.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.85 HG11 ' HB2' ' A' ' 55' ' ' ARG . 95.6 t -84.39 88.19 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.463 HD13 ' CA ' ' A' ' 49' ' ' ASN . 16.3 mm -80.65 138.18 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.6 t -91.13 124.43 61.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.624 0.725 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.495 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.9 Cg_endo -69.82 5.44 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.583 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 21.7 m-85 -109.23 -61.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.7 p -92.34 -8.97 43.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 60.03 44.92 12.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 66.1 mttt -126.83 153.01 46.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.463 ' CA ' HD13 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -94.76 130.33 41.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 24.1 m-85 -132.31 170.32 15.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 54' ' ' HIS . 25.1 p -82.14 146.87 29.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.6 mm? -35.85 -40.6 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -62.87 -44.76 95.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.505 ' N ' ' O ' ' A' ' 51' ' ' CYS . 55.4 m170 -103.92 29.05 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.85 ' HB2' HG11 ' A' ' 41' ' ' VAL . 5.7 ptm180 -68.06 -43.8 77.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.448 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 4.5 m-70 -60.31 166.54 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.583 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 35.6 mt-30 -70.14 -74.4 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.8 m -45.24 -36.66 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.62 -52.26 49.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.48 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.1 p-80 -94.5 23.53 5.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 45.18 53.66 7.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 10.5 t -45.12 111.49 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -56.46 -36.64 69.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -52.27 -46.28 65.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' A' ' 57' ' ' GLN . 66.3 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.556 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 81.1 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.891 0.377 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.824 ' HA ' HG12 ' A' ' 36' ' ' VAL . 39.8 m -68.8 131.04 44.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.2 t -57.21 144.36 35.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.581 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 5.9 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.873 0.368 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.824 HG12 ' HA ' ' A' ' 27' ' ' SER . 27.2 m -139.87 165.96 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -152.0 154.53 36.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -56.45 -42.66 78.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.4 m -92.9 176.69 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.556 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -122.01 103.78 9.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.963 HG11 ' HB2' ' A' ' 55' ' ' ARG . 84.9 t -85.71 94.72 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.464 HD13 ' CA ' ' A' ' 49' ' ' ASN . 41.7 mm -87.93 146.68 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 48.5 t -98.43 127.21 36.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.718 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.534 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.9 Cg_endo -69.73 6.37 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.647 2.231 . . . . 0.0 112.401 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.565 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 21.2 m-85 -112.26 -64.0 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.923 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.1 p -89.48 -8.0 53.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 33.8 mt-10 55.5 48.8 18.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.586 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 66.1 mttt -128.82 151.71 49.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.464 ' CA ' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -91.9 128.42 37.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 26.9 m-85 -129.79 168.05 17.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 54' ' ' HIS . 22.2 p -80.6 146.77 31.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.4 mm? -37.0 -39.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -63.02 -42.73 99.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.506 ' N ' ' O ' ' A' ' 51' ' ' CYS . 41.7 m170 -108.25 33.72 3.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.963 ' HB2' HG11 ' A' ' 41' ' ' VAL . 31.2 ptt-85 -75.38 -36.41 60.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -62.75 169.66 3.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.586 ' HB3' HD11 ' A' ' 65' ' ' LEU . 13.0 mt-30 -77.92 -48.06 17.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 p -80.69 39.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -134.26 -38.93 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.416 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 2.3 p-80 -100.74 29.78 4.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 p30 43.25 46.83 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.7 t -44.24 118.68 1.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 8.3 pt-20 -67.03 -38.52 86.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 40.9 mmtm -57.01 -45.13 83.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 57' ' ' GLN . 15.2 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.613 ' CE1' ' HB2' ' A' ' 40' ' ' ALA . 52.2 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.871 0.367 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.421 ' HA ' HG12 ' A' ' 36' ' ' VAL . 3.6 m -84.97 131.17 34.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 t -49.96 142.18 9.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.814 -179.807 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 27' ' ' SER . 18.8 m -117.15 177.9 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -154.02 158.26 40.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 mt -59.39 -44.3 92.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.5 m -102.58 174.6 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.613 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . . . -113.76 111.66 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.805 HG11 ' HB2' ' A' ' 55' ' ' ARG . 74.6 t -87.79 89.87 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.41 HD13 ' CA ' ' A' ' 49' ' ' ASN . 33.5 mm -81.85 141.21 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 48.5 t -94.02 125.88 51.14 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.666 0.746 . . . . 0.0 110.832 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.528 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.77 5.81 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.633 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 23.2 m-85 -111.33 -61.95 1.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.6 p -92.36 -5.54 51.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 41.9 mt-10 53.99 49.24 19.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 48.5 mttm -129.78 153.22 48.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.41 ' CA ' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -91.24 133.9 35.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.532 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 39.3 m-85 -136.25 170.77 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' HIS . 18.9 p -86.29 147.17 26.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.1 mm? -37.63 -42.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -61.31 -40.68 95.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' CYS . 41.8 m170 -111.58 36.82 3.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.805 ' HB2' HG11 ' A' ' 41' ' ' VAL . 20.6 ptt-85 -74.16 -45.38 48.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.445 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 6.4 t-80 -55.07 165.74 0.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.806 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.633 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 39.0 mt-30 -68.13 -73.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.2 m -48.56 -37.71 18.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -47.91 -51.55 22.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.508 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.8 p-80 -94.34 21.63 6.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 50.6 53.47 12.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.1 t -41.76 121.79 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.4 pm0 -67.26 -25.62 66.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' LEU . 27.7 mmmt -68.45 -45.48 72.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' LYS . 27.3 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.78 ' CE2' ' HB2' ' A' ' 40' ' ' ALA . 31.3 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.909 0.385 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.64 ' HA ' HG12 ' A' ' 36' ' ' VAL . 60.1 p -74.87 134.68 41.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.885 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.8 t -56.41 134.32 53.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.833 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.849 0.357 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.64 HG12 ' HA ' ' A' ' 27' ' ' SER . 27.6 m -126.74 172.36 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -150.77 160.72 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mt -65.6 -40.47 92.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.4 m -96.62 156.6 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.78 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . . . -104.86 107.0 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.559 HG11 ' HB2' ' A' ' 55' ' ' ARG . 93.0 t -88.9 93.48 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.491 HD13 ' CA ' ' A' ' 49' ' ' ASN . 31.0 mm -86.07 144.39 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 50.2 t -96.94 125.76 45.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.645 0.736 . . . . 0.0 110.879 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.497 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.75 4.88 1.93 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.746 2.297 . . . . 0.0 112.339 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.543 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 11.8 m-85 -108.7 -61.53 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.2 p -92.78 -8.44 43.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 13.4 mt-10 57.76 47.91 14.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 36.0 mttm -130.49 153.65 48.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.491 ' CA ' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -91.11 129.81 37.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 33.8 m-85 -132.19 170.79 14.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' HIS . 16.5 p -86.99 151.12 23.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -43.46 -40.09 3.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -64.19 -33.74 76.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 51' ' ' CYS . 44.5 m170 -119.11 33.72 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.559 ' HB2' HG11 ' A' ' 41' ' ' VAL . 19.8 ptt180 -71.59 -41.95 68.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.446 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 41.7 m170 -56.36 166.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.543 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 31.1 mt-30 -70.21 -74.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.5 p -46.11 -41.03 11.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -47.04 -51.37 17.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.492 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 2.7 p-80 -95.49 25.78 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.6 t0 45.59 51.17 10.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.0 t -44.65 102.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -44.81 -39.97 5.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 29.3 mmmt -49.47 -43.45 45.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 57' ' ' GLN . 64.0 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.555 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 87.6 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.86 0.362 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.705 ' HA ' HG12 ' A' ' 36' ' ' VAL . 3.7 m -89.23 131.18 35.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.827 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.1 t -61.05 146.6 46.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.793 -179.803 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.873 0.368 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.705 HG12 ' HA ' ' A' ' 27' ' ' SER . 33.6 m -126.45 164.26 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -145.23 156.42 43.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.86 -43.29 65.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -93.13 170.95 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.555 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -121.33 92.27 3.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.845 HG11 ' HB2' ' A' ' 55' ' ' ARG . 58.1 t -69.19 101.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.112 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' A' ' 49' ' ' ASN . 44.8 mm -96.42 137.63 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 51.3 t -86.06 123.55 71.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.616 0.722 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.516 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.8 Cg_endo -69.78 6.24 1.39 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.337 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.549 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 15.7 m-85 -110.81 -59.0 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.959 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.2 p -96.34 -10.03 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 32.3 mt-10 58.29 48.3 12.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 27.1 mttm -123.22 147.16 47.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.506 ' OD1' ' HB1' ' A' ' 40' ' ' ALA . 29.1 t30 -86.27 129.16 34.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 51.5 m-85 -134.25 176.43 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 54' ' ' HIS . 29.9 p -94.46 148.0 22.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.2 mm? -35.26 -40.45 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -63.2 -46.41 87.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' CYS . 25.6 m170 -103.02 31.87 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.845 ' HB2' HG11 ' A' ' 41' ' ' VAL . 17.3 ptt85 -73.4 -36.58 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.501 ' N ' ' OD2' ' A' ' 59' ' ' ASP . 39.2 m170 -56.7 -174.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.549 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 13.0 mt-30 -96.98 -48.24 5.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 t -83.48 36.78 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.501 ' OD2' ' N ' ' A' ' 56' ' ' HIS . 46.8 p-10 -127.95 -35.3 2.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.475 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 5.2 p-80 -104.78 23.07 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 61' ' ' ASP . 15.5 t0 52.02 47.95 23.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.513 ' HB3' HD12 ' A' ' 65' ' ' LEU . 13.1 t -44.15 122.74 3.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.06 -35.54 81.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.439 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.5 mmmp? -62.03 -42.89 99.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.513 HD12 ' HB3' ' A' ' 62' ' ' CYS . 12.8 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.484 ' HB3' ' ND2' ' A' ' 49' ' ' ASN . 87.2 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.9 0.381 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.4 m -79.84 134.74 36.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.3 t -52.95 157.64 1.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.582 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 44.2 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.1 t0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.881 0.372 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.2 m -148.05 165.61 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.628 ' OE1' HD23 ' A' ' 52' ' ' LEU . 77.4 mm-40 -155.5 150.23 26.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.1 -40.32 70.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.3 m -105.33 -178.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.431 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -116.87 94.04 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.489 HG11 ' HB2' ' A' ' 55' ' ' ARG . 88.1 t -76.18 96.13 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 49' ' ' ASN . 45.6 mm -90.14 138.35 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 50.3 t -86.12 125.83 67.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 110.864 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.557 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.8 6.5 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.321 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.62 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 22.2 m-85 -112.33 -63.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.5 p -90.84 -10.21 43.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 36.5 mt-10 57.77 47.91 14.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 33.5 mttt -126.24 147.95 49.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.484 ' ND2' ' HB3' ' A' ' 26' ' ' TYR . 21.5 t30 -84.82 123.78 30.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 29' ' ' SER . 56.0 m-85 -127.22 175.02 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 54' ' ' HIS . 21.7 p -92.89 146.65 23.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.628 HD23 ' OE1' ' A' ' 37' ' ' GLU . 4.4 mm? -35.85 -35.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -65.63 -45.96 81.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 51' ' ' CYS . 22.3 m170 -105.4 34.17 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.489 ' HB2' HG11 ' A' ' 41' ' ' VAL . 35.5 ptt180 -69.69 -36.1 75.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.401 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 3.6 m170 -69.66 164.32 23.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.62 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 40.8 mt-30 -66.69 -74.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.2 p -43.38 -42.41 4.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' CG ' ' HB2' ' A' ' 56' ' ' HIS . 8.8 m-20 -45.45 -50.79 12.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.494 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.7 p-80 -98.18 29.96 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 41.01 52.24 3.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.3 t -42.53 113.29 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 19.5 pt-20 -61.01 -38.57 86.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 28.4 mmmt -48.25 -43.75 32.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 70.6 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.533 ' CD2' ' HB2' ' A' ' 40' ' ' ALA . 43.1 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.921 0.391 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.661 ' HA ' HG12 ' A' ' 36' ' ' VAL . 90.8 p -70.43 129.37 39.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.877 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.9 t -50.38 143.03 9.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.418 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 2.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.834 0.349 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.661 HG12 ' HA ' ' A' ' 27' ' ' SER . 35.7 m -136.47 169.45 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -151.09 155.0 38.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -58.76 -41.33 86.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -100.93 168.48 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.533 ' HB2' ' CD2' ' A' ' 26' ' ' TYR . . . -109.65 98.2 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.633 HG11 ' HB2' ' A' ' 55' ' ' ARG . 88.5 t -79.75 89.1 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.108 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.466 HD13 ' CA ' ' A' ' 49' ' ' ASN . 36.9 mm -80.78 145.51 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 50.9 t -98.12 126.68 39.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.609 0.718 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.54 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.77 6.07 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.67 2.246 . . . . 0.0 112.332 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.566 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 21.1 m-85 -111.58 -63.33 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.4 p -90.28 -8.16 51.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 23.6 mt-10 56.29 49.12 15.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 61.7 mttt -131.47 151.77 51.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.466 ' CA ' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -89.94 126.28 35.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 39.5 m-85 -128.06 168.11 15.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 54' ' ' HIS . 20.6 p -82.58 145.59 29.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.4 mm? -36.53 -41.0 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -61.95 -42.55 99.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 51' ' ' CYS . 47.4 m170 -109.02 35.92 3.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.633 ' HB2' HG11 ' A' ' 41' ' ' VAL . 26.0 ptt180 -71.65 -40.22 69.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.447 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 25.4 t60 -63.43 164.08 9.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.566 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 40.1 mt-30 -66.94 -75.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 m -43.94 -42.0 5.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -47.41 -51.42 20.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.531 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.1 p-80 -96.37 28.23 3.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 43.69 50.48 6.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.6 t -43.62 102.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 14.2 pt-20 -45.86 -44.32 14.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 31.1 mmmt -43.96 -47.75 8.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.6 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.49 ' O ' HG12 ' A' ' 36' ' ' VAL . 61.6 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.954 0.407 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.621 ' HA ' HG12 ' A' ' 36' ' ' VAL . 88.2 p -81.93 137.66 35.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.832 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.4 t -67.58 145.66 54.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.837 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.858 0.361 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.621 HG12 ' HA ' ' A' ' 27' ' ' SER . 15.9 m -126.32 171.99 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -150.95 160.65 43.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.3 mt -56.48 -44.89 81.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -94.0 -179.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -125.2 94.93 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.811 HG11 ' HB2' ' A' ' 55' ' ' ARG . 97.8 t -70.47 94.35 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' A' ' 49' ' ' ASN . 43.0 mm -92.15 140.56 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 53.3 t -88.09 124.64 66.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.654 0.74 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.511 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.3 Cg_endo -69.72 5.57 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.376 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.554 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 17.3 m-85 -110.37 -62.78 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.8 p -91.0 -11.76 37.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 35.0 mt-10 60.24 47.49 9.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 60.2 mttt -123.47 152.87 41.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.556 ' HA ' HD13 ' A' ' 42' ' ' ILE . 37.6 t30 -89.54 133.58 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 45.4 m-85 -140.81 174.4 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' HIS . 28.8 p -93.45 151.57 19.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.4 mm? -38.15 -40.81 0.53 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -63.0 -43.76 97.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' CYS . 26.1 m170 -106.25 33.42 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.811 ' HB2' HG11 ' A' ' 41' ' ' VAL . 25.2 ptt180 -76.8 -37.63 55.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.507 ' N ' ' OD2' ' A' ' 59' ' ' ASP . 2.6 t-160 -55.63 -175.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.554 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 12.2 mt-30 -95.59 -48.24 5.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -83.29 35.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.507 ' OD2' ' N ' ' A' ' 56' ' ' HIS . 54.8 p-10 -128.39 -29.63 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.485 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 3.2 p-80 -110.94 25.26 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 t70 48.59 46.64 21.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.407 ' HB2' ' NE2' ' A' ' 60' ' ' HIS . 12.2 t -43.02 113.46 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.01 -33.14 66.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.437 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.5 mmmp? -61.82 -44.92 95.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.2 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.466 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 67.1 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.896 0.379 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.426 ' HA ' HG12 ' A' ' 36' ' ' VAL . 50.7 m -74.48 134.54 42.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.7 t -64.24 132.88 51.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.853 0.358 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 27' ' ' SER . 14.4 m -125.29 171.38 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -147.12 156.4 42.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -53.9 -43.03 69.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.4 m -101.1 177.74 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.466 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -121.17 112.81 19.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.738 HG11 ' HB2' ' A' ' 55' ' ' ARG . 90.8 t -90.03 91.84 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.462 HD13 ' CA ' ' A' ' 49' ' ' ASN . 36.9 mm -86.15 144.71 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 53.6 t -96.7 126.29 43.67 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.681 0.753 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.505 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.9 Cg_endo -69.79 5.6 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.64 2.227 . . . . 0.0 112.366 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.533 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 20.1 m-85 -109.76 -64.74 1.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.7 p -88.26 -13.55 40.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 73.2 mt-10 62.51 47.27 5.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.594 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 51.0 mttt -128.43 154.14 46.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.462 ' CA ' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -92.17 131.88 37.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.594 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 30.9 m-85 -134.54 170.1 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 54' ' ' HIS . 16.2 p -86.8 146.08 26.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.5 mm? -36.1 -42.25 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.407 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 9.9 mmt180 -60.84 -42.48 97.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 51' ' ' CYS . 25.1 m170 -111.12 39.98 2.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.738 ' HB2' HG11 ' A' ' 41' ' ' VAL . 19.5 ptt85 -78.09 -42.11 33.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -57.96 163.34 2.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.533 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 36.4 mt-30 -65.98 -73.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.1 m -45.82 -39.71 8.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.77 -48.01 30.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.529 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.1 p-80 -99.67 33.72 2.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' HIS . 1.1 p30 38.01 49.42 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.7 t -42.26 116.95 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 4.7 pt-20 -62.77 -37.35 86.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 1.4 mmmp? -51.82 -38.89 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 64' ' ' LYS . 41.2 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.785 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 22.3 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.893 0.378 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.695 ' HA ' HG12 ' A' ' 36' ' ' VAL . 50.4 m -85.15 143.4 28.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.6 t -63.58 143.35 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.491 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 4.3 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 27' ' ' SER . 30.0 m -124.96 -177.04 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.418 ' CD ' ' O ' ' A' ' 36' ' ' VAL . 67.9 mm-40 -157.95 160.4 37.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.14 -47.66 77.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -98.66 175.41 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.785 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -116.0 104.38 11.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.484 HG11 ' HB2' ' A' ' 55' ' ' ARG . 93.2 t -80.02 95.79 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.1 mm -89.22 138.75 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 52.7 t -89.14 126.17 59.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.663 0.744 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.539 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.8 Cg_endo -69.75 5.67 1.61 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.715 2.277 . . . . 0.0 112.357 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.548 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 18.8 m-85 -111.27 -63.47 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.6 p -90.31 -7.64 52.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 7.8 mt-10 55.86 43.11 28.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 72.8 mttt -120.46 159.06 25.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.588 ' OD1' ' HB1' ' A' ' 40' ' ' ALA . 6.7 t30 -94.11 132.61 38.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 46.6 m-85 -137.68 177.07 8.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 54' ' ' HIS . 17.0 p -98.12 146.96 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 52' ' ' LEU . 3.8 mm? -38.05 -40.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -62.46 -40.93 98.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 51' ' ' CYS . 31.0 m170 -114.12 37.41 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.484 ' HB2' HG11 ' A' ' 41' ' ' VAL . 21.6 ptt-85 -74.04 -47.39 37.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.401 ' N ' ' CG ' ' A' ' 55' ' ' ARG . 30.7 t-80 -51.79 161.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.548 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 38.4 mt-30 -64.61 -74.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.1 p -44.72 -40.67 6.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.21 -52.23 16.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.536 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.3 p-80 -94.81 25.23 4.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.1 t0 44.06 51.6 7.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.3 t -43.53 112.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.69 -34.22 74.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 2.5 mmmp? -53.93 -43.69 69.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.9 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.52 ' CE1' ' HB2' ' A' ' 40' ' ' ALA . 52.2 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.87 0.367 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.5 p -90.69 130.46 36.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.6 t -56.14 145.7 25.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.805 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.496 ' C ' ' CD ' ' A' ' 37' ' ' GLU . 22.9 m -123.06 165.52 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.496 ' CD ' ' C ' ' A' ' 36' ' ' VAL . 14.4 mp0 -144.83 151.75 39.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mt -54.32 -47.61 72.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -90.22 176.63 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.52 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . . . -123.43 96.79 5.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.652 HG11 ' HB2' ' A' ' 55' ' ' ARG . 72.5 t -76.39 100.17 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.1 mm -93.84 143.56 11.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 48.3 t -94.17 126.52 48.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.721 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.518 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.0 Cg_endo -69.76 5.94 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.731 2.288 . . . . 0.0 112.349 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.548 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 18.1 m-85 -112.16 -63.13 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.8 p -90.87 -7.89 50.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 27.9 mt-10 54.3 46.39 25.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 30.5 mttm -122.74 153.5 39.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -90.4 129.77 36.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 44.4 m-85 -133.31 175.18 9.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 54' ' ' HIS . 21.7 p -94.93 146.64 24.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.6 mm? -34.96 -42.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -60.53 -45.56 93.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 51' ' ' CYS . 26.9 m170 -106.61 35.89 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.652 ' HB2' HG11 ' A' ' 41' ' ' VAL . 32.8 ptt-85 -77.45 -43.19 33.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -57.54 158.02 6.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.548 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 12.2 mt-30 -65.25 -52.07 56.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.3 m -82.18 39.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -134.63 -35.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -103.52 22.4 14.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.823 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 52.4 48.69 22.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.471 ' HB3' HD12 ' A' ' 65' ' ' LEU . 8.8 t -43.75 117.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.45 ' HG2' ' N ' ' A' ' 64' ' ' LYS . 21.1 pm0 -66.63 -30.94 71.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.45 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 2.2 mmmp? -61.24 -43.5 98.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.471 HD12 ' HB3' ' A' ' 62' ' ' CYS . 17.5 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -154.04 105.5 2.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 m -156.73 175.41 14.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.83 144.91 7.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -142.66 159.09 42.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.381 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -128.75 156.45 43.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.13 103.39 1.02 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.5 p -167.83 140.83 3.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.775 0.322 . . . . 0.0 110.947 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -144.28 149.76 36.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.8 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.38 176.93 3.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.8 p -175.09 128.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 -132.41 100.89 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 96.0 t -133.27 124.27 48.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.474 ' O ' ' C ' ' A' ' 15' ' ' LYS . 64.7 t -57.5 127.76 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -32.49 146.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -81.06 147.18 30.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.4 mtp85 -78.13 157.45 78.41 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.648 0.737 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 19' ' ' LYS . 53.6 Cg_endo -69.82 84.07 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.631 2.221 . . . . 0.0 112.363 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' PRO . 12.7 tptp -35.77 138.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.8 p -111.84 121.41 44.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.119 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -47.72 -56.17 7.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -65.5 156.28 33.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -109.0 -46.02 3.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -164.06 119.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -128.51 131.94 48.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.635 ' CE2' ' HB2' ' A' ' 40' ' ' ALA . 36.5 m-85 -105.36 136.66 44.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.964 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.879 ' HA ' HG12 ' A' ' 36' ' ' VAL . 60.6 p -85.11 146.17 27.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.9 t -69.29 141.23 54.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.8 m -99.51 30.59 3.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -102.75 141.09 36.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.08 93.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 114.99 38.81 1.01 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.474 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.5 t -149.5 133.29 16.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.94 0.4 . . . . 0.0 110.91 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.0 p -127.51 38.12 4.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -104.23 145.95 29.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.879 HG12 ' HA ' ' A' ' 27' ' ' SER . 32.0 m -128.15 170.39 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -150.5 159.06 44.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -56.87 -46.47 81.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.8 m -88.82 170.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.635 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . . . -118.33 95.38 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.641 HG11 ' HB2' ' A' ' 55' ' ' ARG . 97.4 t -74.16 101.92 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' A' ' 49' ' ' ASN . 37.9 mm -96.32 143.18 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 42.1 t -92.44 124.91 57.91 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.531 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.71 6.18 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.362 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.542 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 18.7 m-85 -111.03 -63.24 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.3 p -90.78 -7.73 51.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 37.9 mt-10 55.46 50.27 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 42.8 mttm -128.99 155.71 44.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.5 ' HA ' HD13 ' A' ' 42' ' ' ILE . 14.3 t30 -90.93 133.38 35.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 44.4 m-85 -138.61 173.63 11.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' HIS . 17.6 p -93.13 152.01 19.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 52' ' ' LEU . 3.3 mm? -43.74 -39.42 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -65.0 -33.71 76.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 51' ' ' CYS . 39.4 m170 -119.97 35.92 4.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.641 ' HB2' HG11 ' A' ' 41' ' ' VAL . 14.0 ptt180 -74.97 -35.9 62.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.436 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 2.5 m170 -59.58 160.55 6.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.542 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 37.6 mt-30 -64.49 -75.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.1 t -49.99 -37.26 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.5 -50.89 29.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.523 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.5 p-80 -93.67 18.55 9.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.8 t70 55.84 52.44 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.2 t -44.28 124.54 4.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -67.4 -30.23 69.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.432 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 16.5 mmmt -66.53 -44.22 83.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LYS . 15.6 mt -37.28 153.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -93.24 48.11 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.0 t -139.76 107.82 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.61 175.98 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -73.13 140.33 80.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.565 0.698 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -0.13 6.49 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.348 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.1 ptt85 -131.68 144.83 51.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.7 mtt -104.06 175.99 5.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.29 149.71 50.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.106 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.12 101.04 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 75' ' ' THR . 3.2 t -120.34 82.15 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -142.52 135.68 28.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -64.99 103.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.6 mt -39.49 132.63 1.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.6 p -107.07 148.37 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 59.3 ttt-85 62.28 41.63 10.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 m -125.42 111.58 15.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 143.73 169.23 12.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 121.46 8.15 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.324 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 86.7 p -98.41 119.16 36.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.2 p -76.77 160.74 29.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.472 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 t -163.01 132.26 4.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.908 0.385 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 t -99.33 172.7 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.95 -126.94 5.68 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.533 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -158.57 162.49 37.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.361 . . . . 0.0 110.889 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -141.33 169.08 18.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.93 146.43 5.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.8 p -128.34 141.01 51.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 0.0 110.918 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.4 p -169.35 129.35 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -88.07 -179.96 6.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 13' ' ' VAL . 84.3 t -155.61 139.39 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.174 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -41.64 114.26 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 13' ' ' VAL . 12.5 p -166.15 119.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.48 ' O ' HG13 ' A' ' 14' ' ' VAL . 10.3 p -42.13 120.92 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -96.2 130.39 43.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -43.63 98.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -115.33 131.37 23.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 110.818 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 96.31 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.697 2.264 . . . . 0.0 112.35 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 152.94 44.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.5 p -140.58 112.04 7.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.55 105.07 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' HB3' ' ND1' ' A' ' 23' ' ' HIS . 21.0 mt-10 -132.28 -62.52 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.426 ' ND1' ' HB3' ' A' ' 22' ' ' GLU . 8.9 m80 -134.73 110.62 9.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -41.98 139.13 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 m -148.4 136.93 21.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.626 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 48.3 m-85 -119.11 138.44 52.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.2 p -85.69 130.12 34.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.47 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 10.3 t -43.19 166.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 49' ' ' ASN . 3.6 m -109.48 -29.41 8.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -44.51 135.71 4.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -71.0 83.5 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 133.23 28.28 0.54 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.484 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.47 ' SG ' ' CB ' ' A' ' 28' ' ' CYS . 8.1 t -134.33 129.46 35.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.916 0.389 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.2 p -119.48 34.17 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.18 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.62 146.95 25.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.453 ' C ' ' CD ' ' A' ' 37' ' ' GLU . 17.3 m -118.58 162.27 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.114 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.453 ' CD ' ' C ' ' A' ' 36' ' ' VAL . 12.1 mp0 -145.91 145.52 30.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 mt -48.12 -47.87 34.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -97.28 178.7 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.626 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -119.45 98.05 5.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.513 HG11 ' HB2' ' A' ' 55' ' ' ARG . 86.3 t -75.85 95.86 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.3 mm -87.98 142.12 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 53.9 t -95.11 125.81 49.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.617 0.723 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.536 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.2 Cg_endo -69.72 5.89 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.536 ' CE1' ' HG2' ' A' ' 44' ' ' PRO . 17.9 m-85 -110.68 -60.91 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.1 p -93.47 -9.77 37.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 47.7 mt-10 56.95 43.84 23.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 25.9 mttp -122.16 152.96 39.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.473 ' OD1' ' HB1' ' A' ' 40' ' ' ALA . 19.8 t30 -87.71 128.57 35.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 48.4 m-85 -132.96 172.37 12.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' HIS . 24.7 p -93.3 149.45 21.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.5 mm? -37.33 -40.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -62.55 -42.59 99.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 51' ' ' CYS . 41.2 m170 -108.11 36.85 2.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.513 ' HB2' HG11 ' A' ' 41' ' ' VAL . 25.6 ptt180 -75.29 -39.99 59.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.437 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 20.2 m170 -63.72 160.67 16.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.535 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 38.7 mt-30 -64.34 -69.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.2 t -49.05 -40.95 33.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.437 ' CG ' ' HB2' ' A' ' 56' ' ' HIS . 11.1 m-20 -47.55 -52.23 18.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.0 p-80 -95.07 26.26 3.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 40.89 54.27 3.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.6 t -43.71 116.21 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -61.68 -30.25 70.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 27.9 mmmt -57.8 -44.31 86.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.3 mt -39.13 159.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -86.98 46.72 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.9 p -137.4 133.19 46.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -164.23 153.82 14.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -78.77 140.74 58.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.548 0.69 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 2.64 3.32 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.318 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.8 ptt-85 -122.56 125.28 45.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.5 tpt -147.55 123.87 10.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.17 -43.63 14.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.93 96.63 6.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.07 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 75' ' ' THR . 15.1 t -67.35 127.52 32.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -165.89 111.01 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -141.77 137.13 31.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.689 HD22 ' C ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -155.45 163.17 40.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.8 p -160.67 137.39 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -127.1 -29.48 2.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -64.55 130.47 43.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -143.51 -157.72 7.28 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 87.59 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.307 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.2 m -127.06 97.45 4.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.4 t -76.51 107.82 9.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.504 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -149.81 143.9 25.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.826 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -160.72 145.12 13.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.63 151.37 21.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 t -170.43 163.95 8.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.907 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -136.72 165.48 25.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.49 91.28 0.51 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.2 m -91.03 152.09 20.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 t -98.85 134.34 41.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -121.03 179.07 4.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.4 p -175.24 138.61 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -112.08 139.92 47.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.0 t -122.87 131.93 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.146 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.5 t -76.01 95.25 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -108.33 133.8 52.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -52.02 143.69 13.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -53.46 154.11 6.67 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 19' ' ' LYS . 54.3 Cg_endo -69.67 136.84 34.27 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.371 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 18' ' ' PRO . 8.5 mtmp? -34.76 150.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 21' ' ' ASP . 11.4 t -121.65 130.73 53.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 20' ' ' THR . 10.8 m-20 -35.05 115.02 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -44.89 -46.53 10.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -68.74 129.21 39.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -94.21 156.11 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.7 p -111.21 125.03 53.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CD2' ' HB2' ' A' ' 40' ' ' ALA . 90.7 m-85 -97.27 139.71 32.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.474 ' HA ' HG12 ' A' ' 36' ' ' VAL . 24.5 p -81.25 145.94 30.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.6 t -73.98 143.31 45.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 49' ' ' ASN . 4.5 m -86.35 25.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.505 ' CD2' ' HB2' ' A' ' 33' ' ' CYS . 47.3 t80 -93.64 165.39 12.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' N ' ' CD2' ' A' ' 30' ' ' PHE . 25.6 ttpp -99.38 93.16 5.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 38.5 5.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.505 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 53.9 t -107.93 -22.43 12.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.468 ' C ' ' O ' ' A' ' 33' ' ' CYS . 40.1 p 31.69 53.8 0.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -123.27 148.58 45.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 27' ' ' SER . 25.0 m -137.55 168.36 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -155.73 154.03 30.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.0 mt -57.01 -39.99 75.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.4 m -102.09 167.53 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.528 ' HB2' ' CD2' ' A' ' 26' ' ' TYR . . . -107.49 93.34 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.566 HG11 ' HB2' ' A' ' 55' ' ' ARG . 91.2 t -72.6 96.96 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 49' ' ' ASN . 33.1 mm -91.47 137.54 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 45.9 t -87.33 123.78 69.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.727 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.524 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.4 Cg_endo -69.82 5.86 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.318 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.625 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 21.7 m-85 -110.33 -60.33 1.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.3 p -94.57 -6.05 44.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 26.3 mt-10 55.47 46.4 23.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 22.3 mttp -124.22 153.01 42.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.492 ' HA ' HD13 ' A' ' 42' ' ' ILE . 32.4 t30 -89.77 130.15 36.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 57.5 m-85 -135.34 174.73 10.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' HIS . 27.8 p -92.96 150.68 20.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -38.4 -39.95 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -64.87 -40.72 95.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' CYS . 62.5 m170 -106.83 31.27 5.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.566 ' HB2' HG11 ' A' ' 41' ' ' VAL . 11.9 ptt180 -70.41 -35.38 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.416 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 63.9 m80 -67.17 166.65 13.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.625 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 41.7 mt-30 -73.29 -71.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -47.55 -39.43 16.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -47.31 -52.39 16.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.508 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 4.0 p-80 -94.44 21.96 6.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 51.34 51.23 17.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.8 t -45.6 121.71 3.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 12.8 pt-20 -64.96 -43.5 92.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.9 mmmp? -47.33 -37.86 11.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.1 mt -49.14 178.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -82.45 42.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.4 t -133.56 109.76 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -143.82 111.72 6.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.28 131.83 24.0 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.618 0.723 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -0.42 6.9 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.676 2.251 . . . . 0.0 112.351 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -83.07 81.17 8.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -174.88 153.15 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.14 103.72 15.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.59 97.13 10.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.1 p -116.36 142.11 47.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -48.95 143.6 5.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -165.48 172.49 12.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.467 ' N ' ' HD2' ' A' ' 77' ' ' LYS . 3.7 pp -135.93 149.28 48.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 79' ' ' VAL . 7.9 p -119.43 120.24 63.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -174.99 129.52 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 t -64.96 172.44 2.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.78 -105.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 83.49 0.7 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.72 2.28 . . . . 0.0 112.338 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.4 p -80.26 137.71 36.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.2 t -91.1 -58.5 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.46 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m -147.92 160.67 42.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 110.849 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -126.95 92.86 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.92 152.26 5.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 t -131.52 154.8 48.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 p -51.87 156.65 1.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.08 -103.77 0.67 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.8 t -86.49 171.9 10.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.6 p -118.86 147.65 43.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -57.15 152.08 14.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.3 t -155.85 111.81 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -59.12 118.22 5.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.4 p -77.2 147.36 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.3 133.99 30.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 tttp -134.24 151.78 51.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -133.01 122.6 24.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -104.6 138.71 19.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 110.832 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -175.19 1.07 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.365 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.6 tptp 57.79 48.17 14.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.4 p -96.58 160.8 14.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' GLU . 44.3 t0 -115.87 141.45 48.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' ASP . 4.7 tp10 -34.34 -43.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -80.61 80.75 7.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.94 155.92 37.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.7 p -155.5 131.25 9.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.804 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.705 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 63.2 m-85 -119.01 128.62 54.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.506 ' HA ' HG12 ' A' ' 36' ' ' VAL . 74.0 m -76.68 129.14 35.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.466 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 7.7 t -48.95 167.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.418 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 26.6 t -116.39 -25.49 7.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -44.24 137.02 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -68.47 81.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 131.57 33.54 0.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.466 ' SG ' ' CB ' ' A' ' 28' ' ' CYS . 13.0 t -141.93 137.27 31.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.942 0.401 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.7 p -132.08 34.11 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -100.22 143.19 30.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 27' ' ' SER . 31.2 m -115.22 159.78 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.495 ' CD ' ' C ' ' A' ' 36' ' ' VAL . 13.2 mp0 -140.13 152.51 46.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 mt -50.52 -45.06 56.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.8 m -102.24 175.78 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.705 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -118.57 109.39 16.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.071 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.827 HG11 ' HB2' ' A' ' 55' ' ' ARG . 91.4 t -86.19 95.2 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.451 HD13 ' CA ' ' A' ' 49' ' ' ASN . 25.8 mm -84.76 143.93 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 43.0 t -98.63 126.41 39.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.517 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.4 Cg_endo -69.76 5.61 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.626 2.218 . . . . 0.0 112.358 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.552 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 16.9 m-85 -110.69 -63.23 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.8 p -90.82 -6.54 54.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 2.9 mm-40 54.53 46.8 24.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 51.6 mttm -127.22 150.47 49.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.451 ' CA ' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -89.78 128.8 36.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 33.0 m-85 -129.93 171.95 12.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 54' ' ' HIS . 24.8 p -87.53 146.77 25.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.5 mm? -35.67 -41.45 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -61.89 -44.66 96.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 51' ' ' CYS . 42.8 m170 -106.44 33.92 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.827 ' HB2' HG11 ' A' ' 41' ' ' VAL . 6.7 ptm180 -72.57 -44.89 61.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.467 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 7.2 t-80 -57.45 165.35 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.552 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 34.9 mt-30 -68.23 -74.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 t -45.51 -40.65 8.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -46.45 -51.94 14.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.496 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 2.8 p-80 -94.6 27.27 3.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 40.5 53.71 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.2 t -44.44 119.05 1.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -62.22 -37.6 85.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.434 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 18.9 mmmt -53.64 -42.49 67.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.2 mt -39.52 159.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -78.9 47.73 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.6 t -138.6 117.02 13.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.99 117.89 3.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.498 ' N ' ' HE3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -52.5 143.2 28.58 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.721 . . . . 0.0 110.918 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -1.53 8.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.244 . . . . 0.0 112.31 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -50.03 118.54 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 tpp -52.78 -47.65 67.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.85 147.45 33.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -136.73 106.89 6.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.3 m -47.63 133.76 13.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -108.39 -35.07 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -107.38 107.31 18.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.5 mt -111.01 44.76 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.3 m -83.17 36.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.169 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -77.01 86.75 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.8 p -167.33 117.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.87 -178.41 15.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 98.64 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.383 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.8 p -171.45 128.3 0.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.0 t -40.18 132.52 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.474 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.7 m -147.27 157.55 43.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 t -47.69 -59.36 3.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.59 -171.15 4.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -170.41 118.72 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.844 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -120.09 96.35 5.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.44 53.01 4.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 85.1 m -137.52 145.39 42.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.3 t -92.65 142.09 27.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -59.25 153.23 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.566 ' O ' HG13 ' A' ' 11' ' ' VAL . 11.4 p -175.13 115.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.096 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -120.79 120.04 34.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -156.0 147.23 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 p -96.73 140.39 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -122.3 113.88 20.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -171.12 143.37 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -121.56 121.07 28.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.848 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 19' ' ' LYS . 53.4 Cg_endo -69.78 89.61 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -34.05 146.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.3 p -104.87 116.56 32.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -126.56 89.54 3.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -143.78 158.86 43.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -129.71 -60.48 1.04 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -165.77 135.22 3.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.7 p -148.52 126.74 12.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.687 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 80.8 m-85 -101.13 119.18 38.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.817 ' HA ' HG12 ' A' ' 36' ' ' VAL . 2.3 m -67.31 141.77 57.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.5 t -71.43 141.06 50.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.534 ' OG ' ' CE2' ' A' ' 50' ' ' PHE . 60.8 p -97.76 38.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 33' ' ' CYS . 8.5 t80 -103.57 140.9 36.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -72.77 84.42 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 119.71 34.71 0.97 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.477 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.456 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 44.3 t -137.83 138.88 39.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.0 p -131.66 40.78 3.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.94 145.02 40.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.817 HG12 ' HA ' ' A' ' 27' ' ' SER . 30.2 m -127.17 168.88 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' OE2' HD23 ' A' ' 52' ' ' LEU . 5.3 mm-40 -145.96 157.11 43.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mt -56.0 -41.89 75.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.8 m -94.99 168.2 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.687 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -114.77 104.03 11.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.664 HG11 ' HB2' ' A' ' 55' ' ' ARG . 93.4 t -83.02 95.1 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 34.0 mm -87.8 143.16 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 49.7 t -96.5 125.99 45.21 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.644 0.735 . . . . 0.0 110.895 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.533 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.0 Cg_endo -69.8 6.17 1.43 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.647 2.231 . . . . 0.0 112.311 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.536 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 19.8 m-85 -111.02 -63.6 1.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.9 p -90.44 -7.79 52.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 35.9 mt-10 55.16 45.33 26.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 50.5 mttm -123.36 158.73 30.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.533 ' OD1' ' HB1' ' A' ' 40' ' ' ALA . 6.5 t30 -95.18 124.88 39.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 26.5 m-85 -127.83 173.95 9.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 54' ' ' HIS . 18.6 p -94.74 147.54 23.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.832 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.5 mm? -36.35 -40.71 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -62.11 -43.34 99.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 51' ' ' CYS . 25.2 m170 -111.7 40.74 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.664 ' HB2' HG11 ' A' ' 41' ' ' VAL . 33.4 ptt180 -77.41 -42.79 34.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.41 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 94.4 m-70 -58.14 162.58 3.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.536 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 36.2 mt-30 -64.92 -76.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.0 m -45.46 -38.71 6.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.41 ' CG ' ' HB2' ' A' ' 56' ' ' HIS . 8.3 m-20 -48.67 -48.96 39.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.485 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 2.7 p-80 -98.54 33.17 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 39.94 48.23 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.6 t -43.52 110.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -55.32 -48.02 74.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 29.1 mmmt -40.06 -45.11 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.3 mt -42.49 165.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -80.31 43.86 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.6 m -103.65 148.43 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.146 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.37 120.97 21.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -105.22 140.71 21.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 2.09 3.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.459 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 4.8 ptp180 -131.93 172.91 11.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -159.74 119.39 2.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.43 110.59 13.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -153.99 105.59 2.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.7 p -54.55 -44.31 72.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -88.62 130.04 35.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.2 155.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -40.8 160.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.9 m -100.98 122.67 53.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -174.54 115.39 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.4 m -161.32 157.79 25.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.9 138.55 7.18 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -38.79 7.39 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m 61.89 41.17 11.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.7 m -54.13 -51.09 65.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.46 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -74.41 147.69 41.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.38 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.0 m -80.76 -50.62 9.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.84 162.64 12.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 t -103.02 110.87 22.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 p -122.96 121.96 37.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.36 119.09 0.5 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.531 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.6 t -109.49 86.71 2.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.1 m -50.21 107.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -108.52 165.45 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.8 p -162.36 140.37 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -138.03 113.0 9.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.8 p -86.49 146.0 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.7 m -124.9 136.35 61.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -133.92 91.31 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' C ' ' CD ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -157.09 178.09 10.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.936 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -146.64 127.55 7.17 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.628 0.728 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 172.17 13.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.63 2.22 . . . . 0.0 112.348 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt 62.04 42.76 9.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 t -139.75 159.06 43.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.106 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -125.97 88.72 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -59.95 151.72 25.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -48.75 174.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.1 157.58 34.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.8 p -125.47 130.52 51.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.705 ' CE2' ' HB2' ' A' ' 40' ' ' ALA . 83.6 m-85 -105.05 122.05 45.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 96.0 p -74.86 127.33 32.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 38.7 t -50.85 136.94 21.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 m -94.92 32.4 1.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -102.87 153.03 20.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -80.84 92.38 6.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.03 36.97 1.42 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 40.5 t -149.63 133.27 16.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.943 0.402 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.4 p -127.04 31.67 5.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -92.28 142.7 27.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.3 m -115.27 176.64 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -151.9 151.53 31.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.9 mt -52.55 -41.63 63.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -105.81 -179.56 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.127 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.705 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . . . -116.63 113.09 22.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.624 HG11 ' HB2' ' A' ' 55' ' ' ARG . 92.0 t -91.94 89.24 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.48 HD13 ' CA ' ' A' ' 49' ' ' ASN . 26.7 mm -84.29 140.38 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.1 t -93.4 125.19 55.09 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.63 0.729 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.507 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.7 Cg_endo -69.77 5.27 1.77 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.585 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 15.4 m-85 -108.9 -62.14 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.3 p -92.11 -7.67 47.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 57.42 49.22 13.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 28.4 mttp -132.71 152.71 51.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.48 ' CA ' HD13 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -92.11 132.92 36.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 41.5 m-85 -134.3 171.62 14.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 54' ' ' HIS . 20.3 p -86.01 149.4 25.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -41.63 -38.35 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -64.61 -37.41 87.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 51' ' ' CYS . 38.9 m170 -114.78 29.84 7.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.624 ' HB2' HG11 ' A' ' 41' ' ' VAL . 29.2 ptt180 -66.2 -42.49 88.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -56.3 168.37 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.585 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 39.6 mt-30 -73.36 -73.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.1 m -46.43 -36.9 6.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -49.46 -52.25 30.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.497 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.2 p-80 -93.8 17.88 11.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 55.6 51.5 12.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.6 t -44.29 100.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -46.28 -33.28 3.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.6 mmmp? -59.25 -44.44 92.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.2 mt -41.21 162.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -77.53 50.25 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 68' ' ' ALA . 48.9 t -118.11 138.95 47.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 69' ' ' LYS . . . -35.54 138.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' ALA . 15.2 mtpt -33.91 140.24 0.26 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.59 0.71 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 71' ' ' ARG . 53.2 Cg_endo -69.78 -10.04 27.58 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 70' ' ' PRO . 2.5 mmp_? 36.36 40.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 73' ' ' ALA . 7.4 mtp -76.74 152.2 35.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 72' ' ' MET . . . -35.47 -47.39 0.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 63.76 40.85 7.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.9 m -56.43 92.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.189 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -82.49 179.2 7.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.57 155.46 18.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.68 94.13 6.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.0 t -147.1 112.25 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.6 ptt85 -112.02 125.67 54.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.7 t -89.75 -46.84 8.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -87.2 121.63 5.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 109.5 2.33 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 92.9 p -144.93 159.66 42.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.7 m -107.38 125.39 51.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.797 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.454 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.0 m 42.42 41.99 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.841 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.3 p -167.27 171.25 10.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.28 156.58 9.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 p -169.87 130.18 1.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -167.7 150.3 5.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.4 104.36 0.17 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.4 m -116.9 155.19 29.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.0 p -168.45 110.39 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -104.04 -177.47 3.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -175.36 151.2 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -75.15 130.41 39.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 p -46.89 131.57 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.517 ' O ' HG23 ' A' ' 14' ' ' VAL . 30.4 m -55.08 116.65 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -143.77 167.28 22.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -171.16 140.37 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -123.18 113.0 29.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 95.34 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -110.67 131.9 54.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 21' ' ' ASP . 80.3 p -79.17 -49.85 11.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' THR . 6.3 p-10 36.76 41.63 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -90.58 -44.87 9.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -62.78 150.54 41.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -130.27 170.62 13.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.8 p -138.68 131.89 30.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.843 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 70.4 m-85 -117.19 146.22 43.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.513 ' HA ' HG12 ' A' ' 36' ' ' VAL . 92.7 p -93.7 129.08 40.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.0 t -52.07 138.32 25.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m -95.45 29.74 2.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -101.72 147.85 25.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -76.72 98.85 4.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.45 38.63 2.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.4 t -147.8 127.73 13.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.924 0.392 . . . . 0.0 110.843 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.8 p -121.8 35.95 4.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -99.2 147.45 25.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 27' ' ' SER . 29.1 m -127.24 167.45 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -146.29 157.41 43.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -49.54 -44.11 46.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.2 m -108.82 -178.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.843 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -120.43 110.56 16.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.774 HG11 ' HB2' ' A' ' 55' ' ' ARG . 97.2 t -77.91 90.16 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.425 HD13 ' CA ' ' A' ' 49' ' ' ASN . 32.1 mm -78.83 134.13 28.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 41.9 t -85.95 125.76 67.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.601 0.715 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.543 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.2 Cg_endo -69.68 6.26 1.35 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.559 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 22.2 m-85 -111.82 -60.61 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.976 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.3 p -94.91 -4.81 46.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.932 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 5.8 mm-40 55.24 48.44 19.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 36.1 mttm -127.26 149.25 50.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.425 ' CA ' HD13 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -88.0 132.34 34.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 52.6 m-85 -136.26 175.97 9.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.5 p -92.64 152.36 19.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -45.36 -38.03 5.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -66.85 -31.3 71.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -122.44 34.91 5.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.774 ' HB2' HG11 ' A' ' 41' ' ' VAL . 21.9 ptt180 -75.23 -36.98 61.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.421 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 4.6 m170 -57.88 163.62 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.559 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 37.6 mt-30 -68.34 -73.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.4 m -49.97 -37.78 33.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.88 -48.2 51.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 2.2 p-80 -95.47 20.56 9.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.7 t70 50.97 54.31 11.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.6 t -47.66 126.87 10.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.9 pm0 -73.94 -23.55 59.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.436 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.9 mmmp? -67.65 -41.72 83.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.2 mt -40.74 160.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -78.94 46.51 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.2 t -141.43 107.3 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.72 134.79 38.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -143.38 144.12 26.84 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.514 0.673 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 1.18 4.72 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.316 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.3 mmt-85 -66.75 155.76 37.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.4 ptm -97.26 168.42 10.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.44 140.1 50.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.61 167.12 1.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.4 m -125.62 136.68 53.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.166 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -76.73 92.94 3.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.464 ' O ' HG22 ' A' ' 79' ' ' VAL . 6.3 ttpm? -96.07 131.81 42.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.471 HD22 ' HA ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -59.98 122.78 15.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 77' ' ' LYS . 0.3 OUTLIER -145.84 115.6 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.5 mtm180 -151.57 129.72 11.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 m -130.72 97.35 4.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -137.12 120.38 2.1 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 167.34 24.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 96.2 p -66.89 119.4 11.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.5 m -147.12 154.81 41.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.455 -179.945 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -51.56 99.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -98.47 -44.33 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.58 -135.94 3.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m -102.7 42.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.823 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 m -124.1 174.23 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.83 85.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.9 t -132.41 159.81 38.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 t -117.51 162.6 17.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.2 162.4 7.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 83.3 t -134.98 137.88 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -79.04 146.55 33.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.2 t -141.77 142.1 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -95.65 -176.75 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.198 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.48 143.8 31.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -133.38 43.6 2.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.489 ' N ' ' HE ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -44.96 137.84 4.39 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.598 0.713 . . . . 0.0 110.9 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 128.08 15.48 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.716 2.278 . . . . 0.0 112.312 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 tptp -86.55 147.37 25.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.5 p -124.71 104.5 8.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -104.1 95.62 6.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -106.0 -59.85 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -92.41 108.39 19.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -63.64 152.11 39.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 p -144.47 138.46 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -107.73 135.15 49.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.671 ' HA ' HG12 ' A' ' 36' ' ' VAL . 54.3 p -78.84 133.17 37.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.7 t -61.22 140.4 57.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 m -100.27 33.53 2.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 60' ' ' HIS . 64.4 t80 -105.51 150.38 25.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -79.84 89.52 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.25 36.81 0.78 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.1 t -147.52 135.25 21.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.1 p -129.31 32.77 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -103.54 153.52 20.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.671 HG12 ' HA ' ' A' ' 27' ' ' SER . 29.9 m -128.68 169.96 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -145.47 155.04 42.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mt -55.3 -39.26 69.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.6 m -103.13 171.06 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -115.48 112.38 22.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.881 HG11 ' HB2' ' A' ' 55' ' ' ARG . 97.5 t -89.5 90.79 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.7 mm -82.08 139.66 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 46.3 t -92.25 125.27 57.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.5 Cg_endo -69.71 6.37 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.346 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.532 ' CE1' ' HG2' ' A' ' 44' ' ' PRO . 24.7 m-85 -111.81 -61.54 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.8 p -93.52 -5.05 49.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 6.5 mt-10 54.84 45.63 26.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 45.2 mttm -123.65 153.54 40.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.89 131.0 39.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 37.9 m-85 -132.45 174.97 9.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 54' ' ' HIS . 27.7 p -90.97 146.13 24.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.2 mm? -36.17 -39.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' HG3' ' CD2' ' A' ' 54' ' ' HIS . 8.0 tpm_? -63.28 -44.48 94.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' CYS . 30.2 m170 -107.25 34.31 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.881 ' HB2' HG11 ' A' ' 41' ' ' VAL . 23.5 ptt180 -74.59 -42.12 59.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.415 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 57.0 m-70 -55.34 167.44 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.681 ' HB3' HD11 ' A' ' 65' ' ' LEU . 19.3 mt-30 -75.76 -49.18 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.2 t -82.56 38.7 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -133.74 -34.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.465 ' HA ' ' CD1' ' A' ' 30' ' ' PHE . 2.4 p-80 -104.31 23.49 13.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.7 t70 50.14 50.76 18.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.411 ' HB3' HD12 ' A' ' 65' ' ' LEU . 9.0 t -47.56 115.15 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 64' ' ' LYS . 23.3 pm0 -63.88 -28.92 70.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.414 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 48.6 mmtt -68.71 -44.57 73.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.681 HD11 ' HB3' ' A' ' 57' ' ' GLN . 12.4 mt -39.22 156.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.422 ' CD ' ' O ' ' A' ' 66' ' ' GLU . 5.5 tm-20 -81.11 45.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.682 ' O ' HG23 ' A' ' 67' ' ' VAL . 27.2 m -114.42 82.8 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.1 78.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -135.13 143.21 44.86 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.601 0.715 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -5.66 16.72 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.674 2.249 . . . . 0.0 112.368 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.455 ' O ' ' C ' ' A' ' 72' ' ' MET . 57.0 mtp85 -52.18 -53.26 45.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 71' ' ' ARG . 6.1 ptp -34.34 135.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -159.9 162.7 34.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -139.12 125.15 19.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.5 p -116.55 39.43 3.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -146.8 156.94 43.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -101.77 41.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.75 143.26 3.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.2 m -108.09 37.62 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.15 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -103.04 83.69 2.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 84.9 p -148.05 125.27 11.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -158.63 75.58 0.2 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 103.09 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.358 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.2 m -68.59 -55.95 9.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.4 m 47.94 42.16 15.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.498 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m -120.77 92.37 3.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.923 0.392 . . . . 0.0 110.886 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -102.62 85.81 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.94 48.88 18.97 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -98.27 135.77 39.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 p -161.52 125.71 3.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.3 95.22 0.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.0 m -115.48 41.81 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.9 p -139.03 111.09 7.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -137.66 167.68 21.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.9 p -162.84 143.33 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.096 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.14 134.41 51.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.9 t -89.94 138.29 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -142.05 113.23 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -109.31 174.82 5.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -89.63 132.18 35.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -125.02 145.28 49.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 124.22 10.88 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -71.41 -56.86 5.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.5 p -44.18 148.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -138.13 152.14 48.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -152.66 154.15 34.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.4 OUTLIER -101.98 91.72 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -97.97 178.42 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.2 m -165.9 133.58 2.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.55 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 75.7 m-85 -106.59 147.11 29.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.936 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.474 ' HA ' HG12 ' A' ' 36' ' ' VAL . 37.4 m -89.47 133.45 34.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.2 t -57.03 136.96 56.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m -93.72 27.54 2.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 60' ' ' HIS . 76.0 t80 -101.18 130.38 47.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -66.01 89.46 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.63 37.57 0.58 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.1 t -149.42 137.22 20.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.97 0.414 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.1 p -128.08 41.29 3.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -110.21 143.59 40.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 27' ' ' SER . 29.6 m -119.87 171.74 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -152.22 147.25 26.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -48.76 -43.04 37.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.44 167.17 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.55 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -109.88 109.01 19.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.069 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.652 HG11 ' HB2' ' A' ' 55' ' ' ARG . 94.4 t -83.17 91.66 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.528 HD13 ' CA ' ' A' ' 49' ' ' ASN . 33.9 mm -83.99 141.41 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 46.9 t -90.17 126.5 56.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.587 0.708 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.551 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.0 Cg_endo -69.77 6.64 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.639 2.226 . . . . 0.0 112.388 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.557 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 22.3 m-85 -112.56 -63.75 1.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.2 p -89.95 -12.02 40.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 22.0 mt-10 61.3 50.35 4.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 24.2 mttm -128.8 144.94 51.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.528 ' CA ' HD13 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -84.8 131.27 34.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.829 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 61.5 m-85 -135.0 175.89 9.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 54' ' ' HIS . 19.2 p -93.22 146.12 23.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -37.98 -41.49 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -61.98 -40.03 94.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 51' ' ' CYS . 34.8 m170 -113.81 38.16 3.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.652 ' HB2' HG11 ' A' ' 41' ' ' VAL . 11.8 ptt180 -78.83 -37.12 41.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.486 ' CD2' ' H ' ' A' ' 57' ' ' GLN . 9.2 t-160 -53.3 167.78 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 17.5 mt-30 -78.81 -47.38 16.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.4 m -81.06 18.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.83 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.0 -38.27 5.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.506 ' HA ' ' CD1' ' A' ' 30' ' ' PHE . 5.2 p-80 -104.43 29.47 6.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.9 t70 45.49 48.71 10.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 10.6 t -41.38 130.37 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -78.05 -23.97 47.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -87.38 26.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.0 mt -100.94 161.25 13.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -92.8 44.1 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.2 t -104.08 146.4 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.68 104.14 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -112.43 136.03 21.45 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.579 0.704 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 7.55 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.373 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -103.05 89.56 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.24 122.22 3.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.24 85.91 2.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.58 39.65 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.0 p -133.91 172.35 12.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -124.98 143.65 50.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -124.62 155.59 38.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.605 HD23 ' N ' ' A' ' 79' ' ' VAL . 2.5 tt -49.74 135.63 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.605 ' N ' HD23 ' A' ' 78' ' ' LEU . 89.5 t -72.84 -61.81 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.407 ' C ' HD22 ' A' ' 78' ' ' LEU . 31.7 ttp180 -100.76 82.25 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.6 p -43.24 157.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -164.81 -179.31 38.76 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 6.6 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 0.0 112.385 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 t -80.65 116.63 20.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.9 m -41.05 -42.83 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.518 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t -160.49 119.98 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -148.82 160.93 42.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.81 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.57 148.73 15.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 p -174.92 155.2 2.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 0.0 110.908 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -101.14 125.24 47.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.01 145.64 4.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 m -153.22 115.47 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.9 t -107.2 165.82 11.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -76.16 175.16 9.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.3 t -151.97 111.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -109.06 90.88 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.502 HG11 ' HE3' ' A' ' 15' ' ' LYS . 9.6 p -173.86 144.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.152 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.2 t -94.85 105.76 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.502 ' HE3' HG11 ' A' ' 13' ' ' VAL . 53.6 mttt -119.26 18.69 12.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -128.03 103.95 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -145.42 115.75 4.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.589 0.709 . . . . 0.0 110.92 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 174.18 9.84 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -109.26 110.82 22.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.1 t -80.14 -33.37 38.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -142.53 118.64 10.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.34 135.45 17.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -91.34 150.26 21.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -100.41 139.57 35.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 77.7 p -94.66 121.69 36.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.605 ' CE2' ' HB2' ' A' ' 40' ' ' ALA . 87.2 m-85 -100.91 135.0 43.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.413 ' HA ' HG12 ' A' ' 36' ' ' VAL . 83.9 p -88.82 130.04 35.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.0 t -53.53 144.43 17.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.473 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 6.7 t -85.71 13.84 6.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -93.58 125.23 38.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -75.38 81.89 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.97 26.06 0.79 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.462 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 34' ' ' THR . 38.2 t -115.19 -25.74 7.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.819 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.471 ' C ' ' O ' ' A' ' 33' ' ' CYS . 35.3 p 31.99 53.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -125.36 149.88 47.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' A' ' 27' ' ' SER . 27.9 m -135.25 163.57 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -150.24 151.62 33.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.35 -32.1 70.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.2 m -105.54 163.9 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.605 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . . . -110.46 103.8 12.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.85 HG11 ' HB2' ' A' ' 55' ' ' ARG . 95.6 t -84.39 88.19 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.463 HD13 ' CA ' ' A' ' 49' ' ' ASN . 16.3 mm -80.65 138.18 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.6 t -91.13 124.43 61.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.624 0.725 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.495 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.9 Cg_endo -69.82 5.44 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.583 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 21.7 m-85 -109.23 -61.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.7 p -92.34 -8.97 43.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 60.03 44.92 12.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 66.1 mttt -126.83 153.01 46.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.463 ' CA ' HD13 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -94.76 130.33 41.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 24.1 m-85 -132.31 170.32 15.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 54' ' ' HIS . 25.1 p -82.14 146.87 29.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.6 mm? -35.85 -40.6 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -62.87 -44.76 95.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.505 ' N ' ' O ' ' A' ' 51' ' ' CYS . 55.4 m170 -103.92 29.05 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.85 ' HB2' HG11 ' A' ' 41' ' ' VAL . 5.7 ptm180 -68.06 -43.8 77.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.448 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 4.5 m-70 -60.31 166.54 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.583 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 35.6 mt-30 -70.14 -74.4 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.8 m -45.24 -36.66 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.62 -52.26 49.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.48 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.1 p-80 -94.5 23.53 5.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 45.18 53.66 7.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 10.5 t -45.12 111.49 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -56.46 -36.64 69.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -52.27 -46.28 65.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' A' ' 57' ' ' GLN . 66.3 mt -43.28 166.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.0 pm0 -91.78 34.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.566 ' O ' HG13 ' A' ' 67' ' ' VAL . 14.8 p -110.33 117.32 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -100.2 134.73 42.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -147.39 139.61 14.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.576 0.703 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -6.21 18.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.712 2.275 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -56.72 122.7 12.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.4 mmt -52.03 159.79 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.94 167.58 22.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.99 178.66 7.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.2 m -104.49 -45.61 4.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -41.07 130.78 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.11 128.82 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.815 HD23 ' H ' ' A' ' 78' ' ' LEU . 1.5 pt? -100.75 157.83 16.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.8 p -170.63 136.16 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.46 165.42 17.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.0 m -100.97 138.24 38.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.73 154.36 39.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 88.58 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.679 2.252 . . . . 0.0 112.368 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 t -114.69 107.13 15.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.9 t -168.21 150.25 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.487 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.429 -0.269 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -152.58 118.57 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.381 . . . . 0.0 110.873 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -160.54 156.6 26.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.38 93.43 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -112.31 83.92 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 t -116.19 144.88 43.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.9 109.95 0.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.7 m -143.07 109.79 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.842 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.4 p -149.04 177.22 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' C ' HG23 ' A' ' 11' ' ' VAL . 12.3 tt0 -151.06 153.12 34.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.423 ' C ' ' OD1' ' A' ' 12' ' ' ASN . 94.8 t -157.58 114.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.092 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.423 ' OD1' ' C ' ' A' ' 11' ' ' VAL . 5.2 m-20 -133.58 171.2 14.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.5 t -122.59 119.85 59.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.2 t -111.3 110.75 33.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -111.27 136.59 50.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -111.89 142.92 43.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.3 ppt_? -75.83 144.03 75.7 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.54 0.685 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 176.34 6.95 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.665 2.244 . . . . 0.0 112.314 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -79.7 152.03 30.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 t -170.95 129.42 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 22' ' ' GLU . 18.3 p-10 -121.38 69.35 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 21' ' ' ASP . 3.4 tp10 34.29 49.21 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 42.4 p-80 -83.55 89.04 7.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.835 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -82.83 110.94 18.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.8 p -117.73 124.25 48.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.556 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 81.1 m-85 -99.37 123.4 43.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.934 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.824 ' HA ' HG12 ' A' ' 36' ' ' VAL . 39.8 m -68.8 131.04 44.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.2 t -57.21 144.36 35.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.581 ' HB3' ' CE2' ' A' ' 50' ' ' PHE . 5.9 t -90.08 26.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.531 ' CD2' ' N ' ' A' ' 31' ' ' LYS . 51.6 t80 -91.64 173.26 7.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.531 ' N ' ' CD2' ' A' ' 30' ' ' PHE . 8.1 ttpm? -101.69 94.66 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.24 39.99 8.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.506 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 53.1 t -106.07 -20.21 13.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.484 ' C ' ' O ' ' A' ' 33' ' ' CYS . 38.2 p 30.54 53.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -124.87 146.1 49.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.824 HG12 ' HA ' ' A' ' 27' ' ' SER . 27.2 m -139.87 165.96 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -152.0 154.53 36.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -56.45 -42.66 78.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.4 m -92.9 176.69 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.556 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -122.01 103.78 9.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.963 HG11 ' HB2' ' A' ' 55' ' ' ARG . 84.9 t -85.71 94.72 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.464 HD13 ' CA ' ' A' ' 49' ' ' ASN . 41.7 mm -87.93 146.68 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 48.5 t -98.43 127.21 36.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.718 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.534 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.9 Cg_endo -69.73 6.37 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.647 2.231 . . . . 0.0 112.401 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.565 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 21.2 m-85 -112.26 -64.0 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.923 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.1 p -89.48 -8.0 53.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 33.8 mt-10 55.5 48.8 18.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.586 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 66.1 mttt -128.82 151.71 49.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.464 ' CA ' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -91.9 128.42 37.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 26.9 m-85 -129.79 168.05 17.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 54' ' ' HIS . 22.2 p -80.6 146.77 31.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.4 mm? -37.0 -39.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -63.02 -42.73 99.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.506 ' N ' ' O ' ' A' ' 51' ' ' CYS . 41.7 m170 -108.25 33.72 3.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.963 ' HB2' HG11 ' A' ' 41' ' ' VAL . 31.2 ptt-85 -75.38 -36.41 60.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -62.75 169.66 3.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.586 ' HB3' HD11 ' A' ' 65' ' ' LEU . 13.0 mt-30 -77.92 -48.06 17.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 p -80.69 39.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -134.26 -38.93 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.416 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 2.3 p-80 -100.74 29.78 4.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 p30 43.25 46.83 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.7 t -44.24 118.68 1.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 8.3 pt-20 -67.03 -38.52 86.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 40.9 mmtm -57.01 -45.13 83.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 57' ' ' GLN . 15.2 mt -38.37 157.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -81.48 45.94 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.2 t -123.55 130.1 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.25 107.46 18.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.19 140.54 25.82 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.585 0.707 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 6.9 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.727 2.285 . . . . 0.0 112.321 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 66.2 mmt-85 -50.53 173.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -78.93 166.0 22.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.92 -175.99 5.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 64.67 42.7 4.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.3 m -131.89 124.6 29.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.149 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -160.2 171.93 18.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 ptpt -127.73 99.98 5.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.472 ' H ' HD12 ' A' ' 78' ' ' LEU . 6.3 mp -60.58 100.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.9 p -153.2 136.92 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.8 ptt-85 -129.87 145.99 51.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.6 t -50.77 144.62 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.407 ' C ' ' H ' ' A' ' 84' ' ' SER . . . -82.01 -153.35 11.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 85' ' ' SER . 54.2 Cg_endo -69.73 11.12 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.703 2.269 . . . . 0.0 112.351 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 83' ' ' PRO . 16.0 t -33.13 93.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 83' ' ' PRO . 52.1 p -118.19 136.61 53.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.902 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.487 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 m -135.9 134.89 39.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.377 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.2 p -174.57 167.53 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.0 128.31 3.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -142.43 130.53 21.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.6 p -172.71 169.68 4.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.51 164.86 33.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.0 p -160.84 166.37 28.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.3 t -147.17 140.37 25.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -83.28 166.68 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -160.1 129.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -162.59 110.37 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.48 ' O ' HG13 ' A' ' 13' ' ' VAL . 14.9 p -141.17 123.1 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 p -111.6 137.76 42.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -110.34 156.6 20.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -93.91 98.56 11.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.64 135.46 35.96 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.592 0.71 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 151.01 69.19 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.707 2.271 . . . . 0.0 112.358 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -97.98 34.57 1.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.4 p -136.52 116.22 13.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -73.46 167.13 21.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -132.68 152.54 51.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -99.71 140.88 33.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.796 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.83 177.09 3.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.5 m -129.5 123.75 32.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.613 ' CE1' ' HB2' ' A' ' 40' ' ' ALA . 52.2 m-85 -111.93 133.83 53.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.421 ' HA ' HG12 ' A' ' 36' ' ' VAL . 3.6 m -84.97 131.17 34.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 t -49.96 142.18 9.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 t -100.59 27.4 5.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.814 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.411 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 39.7 t80 -99.12 157.06 16.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.82 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.411 ' N ' ' CG ' ' A' ' 30' ' ' PHE . 20.5 ttpp -87.24 89.44 8.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.13 34.36 0.97 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 34.3 t -143.06 140.05 30.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.5 p -132.92 37.68 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -105.76 144.18 32.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 27' ' ' SER . 18.8 m -117.15 177.9 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -154.02 158.26 40.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 mt -59.39 -44.3 92.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.5 m -102.58 174.6 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.613 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . . . -113.76 111.66 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.805 HG11 ' HB2' ' A' ' 55' ' ' ARG . 74.6 t -87.79 89.87 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.41 HD13 ' CA ' ' A' ' 49' ' ' ASN . 33.5 mm -81.85 141.21 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 48.5 t -94.02 125.88 51.14 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.666 0.746 . . . . 0.0 110.832 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.528 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.77 5.81 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.633 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 23.2 m-85 -111.33 -61.95 1.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.6 p -92.36 -5.54 51.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 41.9 mt-10 53.99 49.24 19.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 48.5 mttm -129.78 153.22 48.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.41 ' CA ' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -91.24 133.9 35.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.532 ' CE1' ' HB2' ' A' ' 48' ' ' LYS . 39.3 m-85 -136.25 170.77 15.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' HIS . 18.9 p -86.29 147.17 26.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.1 mm? -37.63 -42.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -61.31 -40.68 95.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' CYS . 41.8 m170 -111.58 36.82 3.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.805 ' HB2' HG11 ' A' ' 41' ' ' VAL . 20.6 ptt-85 -74.16 -45.38 48.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.445 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 6.4 t-80 -55.07 165.74 0.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.806 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.633 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 39.0 mt-30 -68.13 -73.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.2 m -48.56 -37.71 18.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -47.91 -51.55 22.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.508 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.8 p-80 -94.34 21.63 6.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 50.6 53.47 12.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.1 t -41.76 121.79 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.4 pm0 -67.26 -25.62 66.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' LEU . 27.7 mmmt -68.45 -45.48 72.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' LYS . 27.3 mt -36.69 155.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -94.99 42.57 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.07 128.55 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -173.04 156.97 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -136.23 135.52 21.21 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.566 0.698 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -6.3 18.29 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.711 2.274 . . . . 0.0 112.312 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.4 mtp-105 -51.89 125.87 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.431 ' SD ' ' C ' ' A' ' 72' ' ' MET . 1.0 OUTLIER -83.32 154.12 24.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.71 118.61 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.14 96.92 6.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 75' ' ' THR . 13.4 t -164.98 129.05 2.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -174.93 144.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -90.39 103.36 16.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.5 tp -77.64 120.9 23.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.6 p -164.18 135.1 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.04 -16.15 6.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.2 p -154.41 156.49 36.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.26 98.27 0.24 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 152.29 68.9 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.666 2.244 . . . . 0.0 112.322 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 t -127.81 156.02 43.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 t -126.39 154.04 44.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.195 -0.78 . . . . 0.0 112.459 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -86.67 149.55 24.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 110.83 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.3 m -86.74 112.82 22.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.14 -167.79 11.61 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 t -63.73 120.26 11.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 0.0 110.856 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -99.32 105.75 17.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.82 44.09 0.99 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.4 m -57.05 101.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.8 p -116.18 132.7 56.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -62.49 160.93 12.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.4 t -132.55 116.15 27.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -119.58 133.15 55.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -170.53 141.81 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -96.35 152.75 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 147.85 49.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -152.32 139.05 18.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -130.79 131.16 23.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 171.8 13.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.252 . . . . 0.0 112.317 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -83.47 45.43 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.4 p -121.04 37.57 4.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -94.22 84.2 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 23' ' ' HIS . 37.3 mm-40 -71.78 130.04 40.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 22' ' ' GLU . 13.8 m80 -34.26 145.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.552 ' HG3' ' CE1' ' A' ' 26' ' ' TYR . 9.2 pttm -92.52 107.23 19.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 24' ' ' LYS . 23.8 p -34.18 120.37 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.78 ' CE2' ' HB2' ' A' ' 40' ' ' ALA . 31.3 m-85 -99.92 115.35 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.64 ' HA ' HG12 ' A' ' 36' ' ' VAL . 60.1 p -74.87 134.68 41.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.885 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.8 t -56.41 134.32 53.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -95.06 30.99 1.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.543 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 52.1 t80 -97.88 166.34 11.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.543 ' N ' ' CG ' ' A' ' 30' ' ' PHE . 68.2 tttt -91.5 94.52 9.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.11 37.7 1.78 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 33.3 t -146.47 127.13 14.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.7 p -123.06 39.69 3.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -106.33 151.69 24.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.64 HG12 ' HA ' ' A' ' 27' ' ' SER . 27.6 m -126.74 172.36 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -150.77 160.72 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mt -65.6 -40.47 92.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.4 m -96.62 156.6 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.78 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . . . -104.86 107.0 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.559 HG11 ' HB2' ' A' ' 55' ' ' ARG . 93.0 t -88.9 93.48 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.491 HD13 ' CA ' ' A' ' 49' ' ' ASN . 31.0 mm -86.07 144.39 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 50.2 t -96.94 125.76 45.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.645 0.736 . . . . 0.0 110.879 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.497 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.75 4.88 1.93 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.746 2.297 . . . . 0.0 112.339 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.543 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 11.8 m-85 -108.7 -61.53 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.2 p -92.78 -8.44 43.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 13.4 mt-10 57.76 47.91 14.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 36.0 mttm -130.49 153.65 48.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.491 ' CA ' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -91.11 129.81 37.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 33.8 m-85 -132.19 170.79 14.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' HIS . 16.5 p -86.99 151.12 23.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -43.46 -40.09 3.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -64.19 -33.74 76.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 51' ' ' CYS . 44.5 m170 -119.11 33.72 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.559 ' HB2' HG11 ' A' ' 41' ' ' VAL . 19.8 ptt180 -71.59 -41.95 68.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.446 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 41.7 m170 -56.36 166.63 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.543 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 31.1 mt-30 -70.21 -74.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.5 p -46.11 -41.03 11.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -47.04 -51.37 17.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.492 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 2.7 p-80 -95.49 25.78 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.6 t0 45.59 51.17 10.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.0 t -44.65 102.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -44.81 -39.97 5.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 29.3 mmmt -49.47 -43.45 45.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 57' ' ' GLN . 64.0 mt -49.23 179.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -119.35 69.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 67' ' ' VAL . 32.9 m -64.24 125.13 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.02 38.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.052 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.22 136.72 53.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.576 0.703 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -12.54 33.15 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.327 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.64 134.34 53.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -174.91 176.45 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.27 172.43 7.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -130.7 -63.4 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.049 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 63.6 m -143.39 115.88 8.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -84.68 156.84 21.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? -87.16 83.86 7.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.2 tp -134.67 87.68 2.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 79' ' ' VAL . 11.4 p -119.58 41.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -61.56 146.35 49.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.4 p -100.14 -57.63 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.61 140.49 9.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 117.14 4.9 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.349 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.4 t -100.66 90.5 4.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.0 p -122.29 142.97 49.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.074 -0.848 . . . . 0.0 112.517 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.7 p -174.53 166.69 3.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 m -123.7 165.54 17.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.4 66.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -138.33 141.72 39.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -168.45 144.79 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.2 -119.37 1.74 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.453 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.2 t -174.66 133.9 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.358 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.5 p -157.81 143.29 17.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -162.97 167.04 23.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.4 t -142.48 111.09 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -141.69 108.17 5.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.6 t -129.7 123.85 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 p -94.94 131.98 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -149.85 141.63 23.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -98.77 86.01 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -92.77 123.67 60.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.741 . . . . 0.0 110.85 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 109.98 2.44 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -105.36 138.62 41.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.0 p -60.95 147.08 44.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -100.2 43.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -63.68 170.44 3.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -45.51 166.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm -63.34 149.96 44.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.3 p -156.31 127.04 6.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.817 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.555 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 87.6 m-85 -110.11 139.84 44.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.705 ' HA ' HG12 ' A' ' 36' ' ' VAL . 3.7 m -89.23 131.18 35.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.827 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.1 t -61.05 146.6 46.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -105.51 35.97 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.793 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.42 ' CD1' ' HA ' ' A' ' 60' ' ' HIS . 79.0 t80 -103.36 155.7 18.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -81.9 92.26 6.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.81 38.2 1.6 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.513 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.1 t -141.51 133.45 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.5 p -130.15 37.05 3.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -106.69 144.93 32.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.705 HG12 ' HA ' ' A' ' 27' ' ' SER . 33.6 m -126.45 164.26 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -145.23 156.42 43.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.86 -43.29 65.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -93.13 170.95 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.555 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -121.33 92.27 3.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.845 HG11 ' HB2' ' A' ' 55' ' ' ARG . 58.1 t -69.19 101.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.112 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' A' ' 49' ' ' ASN . 44.8 mm -96.42 137.63 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 51.3 t -86.06 123.55 71.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.616 0.722 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.516 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.8 Cg_endo -69.78 6.24 1.39 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.668 2.245 . . . . 0.0 112.337 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.549 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 15.7 m-85 -110.81 -59.0 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.959 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.2 p -96.34 -10.03 28.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 32.3 mt-10 58.29 48.3 12.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 27.1 mttm -123.22 147.16 47.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.506 ' OD1' ' HB1' ' A' ' 40' ' ' ALA . 29.1 t30 -86.27 129.16 34.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 51.5 m-85 -134.25 176.43 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 54' ' ' HIS . 29.9 p -94.46 148.0 22.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.2 mm? -35.26 -40.45 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -63.2 -46.41 87.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' CYS . 25.6 m170 -103.02 31.87 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.845 ' HB2' HG11 ' A' ' 41' ' ' VAL . 17.3 ptt85 -73.4 -36.58 66.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.501 ' N ' ' OD2' ' A' ' 59' ' ' ASP . 39.2 m170 -56.7 -174.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.549 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 13.0 mt-30 -96.98 -48.24 5.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 t -83.48 36.78 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.501 ' OD2' ' N ' ' A' ' 56' ' ' HIS . 46.8 p-10 -127.95 -35.3 2.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.475 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 5.2 p-80 -104.78 23.07 14.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 61' ' ' ASP . 15.5 t0 52.02 47.95 23.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.513 ' HB3' HD12 ' A' ' 65' ' ' LEU . 13.1 t -44.15 122.74 3.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -64.06 -35.54 81.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.439 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.5 mmmp? -62.03 -42.89 99.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.513 HD12 ' HB3' ' A' ' 62' ' ' CYS . 12.8 mt -40.36 158.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -101.1 49.71 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.0 t -72.12 145.48 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 69' ' ' LYS . . . -90.51 139.78 30.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER 33.72 54.29 1.37 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.528 0.68 . . . . 0.0 110.892 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 69' ' ' LYS . 53.6 Cg_endo -69.75 0.71 5.24 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -92.75 41.79 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.4 ttt -104.94 45.45 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -132.95 92.72 3.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -124.61 95.4 4.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.8 t -145.29 132.27 20.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -115.27 108.77 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.4 pttt -157.12 111.7 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 tt -50.7 127.17 17.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 79' ' ' VAL . 27.6 m -117.58 119.16 60.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.411 ' C ' ' HD3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -145.99 139.01 25.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 61.6 p -151.32 132.21 14.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.821 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.62 -142.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 150.98 69.2 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.349 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.9 t -124.65 149.97 46.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 t -71.82 94.05 1.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.192 -0.782 . . . . 0.0 112.485 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 p -96.72 116.58 29.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 110.89 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -148.01 144.67 28.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.01 65.15 0.54 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.82 160.58 14.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.871 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -89.04 -61.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.73 71.14 1.32 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.468 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.7 p -97.77 43.89 1.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -105.28 136.19 45.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -95.74 150.4 20.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.6 t -129.86 132.84 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -95.23 112.72 24.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.0 t -118.56 101.1 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 14' ' ' VAL . 11.6 p -86.6 119.22 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -56.45 107.88 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -101.77 111.06 23.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -107.77 125.66 31.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.662 0.744 . . . . 0.0 110.836 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 175.11 8.57 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.311 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -121.89 149.43 43.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.9 p -126.57 118.5 24.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -168.35 124.59 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -118.72 105.25 11.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -138.95 146.17 40.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.801 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -109.17 151.51 26.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.1 m -125.65 131.86 52.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.484 ' HB3' ' ND2' ' A' ' 49' ' ' ASN . 87.2 m-85 -115.0 126.65 55.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.4 m -79.84 134.74 36.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.3 t -52.95 157.64 1.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.582 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 44.2 m -86.9 -21.66 26.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -62.77 120.02 10.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -68.63 86.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.21 -29.76 2.39 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.431 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.488 ' O ' ' C ' ' A' ' 34' ' ' THR . 52.7 t -61.01 -26.73 67.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.94 0.4 . . . . 0.0 110.909 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.488 ' C ' ' O ' ' A' ' 33' ' ' CYS . 40.2 p 30.93 54.98 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.436 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 14.1 t0 -116.62 173.21 6.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.2 m -148.05 165.61 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.628 ' OE1' HD23 ' A' ' 52' ' ' LEU . 77.4 mm-40 -155.5 150.23 26.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.1 -40.32 70.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.3 m -105.33 -178.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.431 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -116.87 94.04 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.489 HG11 ' HB2' ' A' ' 55' ' ' ARG . 88.1 t -76.18 96.13 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 49' ' ' ASN . 45.6 mm -90.14 138.35 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 50.3 t -86.12 125.83 67.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 110.864 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.557 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.8 6.5 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.321 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.62 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 22.2 m-85 -112.33 -63.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.5 p -90.84 -10.21 43.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 36.5 mt-10 57.77 47.91 14.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 33.5 mttt -126.24 147.95 49.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.484 ' ND2' ' HB3' ' A' ' 26' ' ' TYR . 21.5 t30 -84.82 123.78 30.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 29' ' ' SER . 56.0 m-85 -127.22 175.02 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 54' ' ' HIS . 21.7 p -92.89 146.65 23.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.628 HD23 ' OE1' ' A' ' 37' ' ' GLU . 4.4 mm? -35.85 -35.95 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -65.63 -45.96 81.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.504 ' N ' ' O ' ' A' ' 51' ' ' CYS . 22.3 m170 -105.4 34.17 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.489 ' HB2' HG11 ' A' ' 41' ' ' VAL . 35.5 ptt180 -69.69 -36.1 75.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.401 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 3.6 m170 -69.66 164.32 23.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.62 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 40.8 mt-30 -66.69 -74.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.2 p -43.38 -42.41 4.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' CG ' ' HB2' ' A' ' 56' ' ' HIS . 8.8 m-20 -45.45 -50.79 12.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.494 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.7 p-80 -98.18 29.96 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 41.01 52.24 3.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.3 t -42.53 113.29 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 19.5 pt-20 -61.01 -38.57 86.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 28.4 mmmt -48.25 -43.75 32.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 70.6 mt -44.97 162.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -89.4 46.98 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -161.41 144.56 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -123.52 123.24 40.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -45.44 146.15 1.78 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.549 0.69 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -14.78 36.59 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.695 2.263 . . . . 0.0 112.349 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -84.31 85.42 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.415 ' HG2' ' N ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -90.26 -30.38 17.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.415 ' N ' ' HG2' ' A' ' 72' ' ' MET . . . -136.19 162.44 32.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -123.99 -57.53 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.2 p -129.98 159.44 36.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -100.33 107.58 19.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -153.85 115.26 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.9 mt -86.37 143.27 27.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 79' ' ' VAL . 13.3 m -135.55 116.11 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -129.53 91.4 3.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -143.07 137.18 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -97.44 145.1 17.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 86.94 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.246 . . . . 0.0 112.358 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.8 t -89.77 -54.48 4.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.6 t -115.28 101.51 9.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 CA-C-O 119.192 -0.782 . . . . 0.0 112.476 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t 41.66 42.16 1.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -56.13 136.35 52.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.71 131.21 1.79 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.453 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -155.61 120.29 4.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 7' ' ' GLY . 30.2 p -150.14 145.29 26.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.76 119.06 0.3 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.3 m -66.85 99.12 0.59 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.851 0.358 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 m -140.41 122.37 15.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -78.24 149.31 33.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.1 t -152.54 106.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -136.28 150.36 48.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.6 p -125.81 146.94 30.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.093 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 m -110.93 87.28 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 16' ' ' GLU . 9.6 mtmp? -114.73 36.68 3.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' LYS . 34.1 mm-40 -35.75 110.78 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.85 143.96 20.97 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.623 0.725 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 171.22 14.79 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.393 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -125.57 128.71 48.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.2 p -131.14 83.26 2.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.91 74.2 1.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -173.2 146.4 1.43 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 23' ' ' HIS . 13.6 p80 -151.85 115.88 4.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.58 140.06 58.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.5 p -141.77 124.59 16.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.533 ' CD2' ' HB2' ' A' ' 40' ' ' ALA . 43.1 m-85 -105.25 123.91 48.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.856 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.661 ' HA ' HG12 ' A' ' 36' ' ' VAL . 90.8 p -70.43 129.37 39.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.877 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.9 t -50.38 143.03 9.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.418 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 2.9 m -85.13 27.64 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -112.47 122.8 48.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -74.02 81.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 134.08 30.17 0.43 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.47 ' O ' ' C ' ' A' ' 34' ' ' THR . 45.1 t -123.42 -24.26 4.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.915 0.388 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 33' ' ' CYS . 39.8 p 32.51 54.41 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.11 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -129.78 152.87 48.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.661 HG12 ' HA ' ' A' ' 27' ' ' SER . 35.7 m -136.47 169.45 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -151.09 155.0 38.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -58.76 -41.33 86.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -100.93 168.48 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.533 ' HB2' ' CD2' ' A' ' 26' ' ' TYR . . . -109.65 98.2 7.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.633 HG11 ' HB2' ' A' ' 55' ' ' ARG . 88.5 t -79.75 89.1 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.108 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.466 HD13 ' CA ' ' A' ' 49' ' ' ASN . 36.9 mm -80.78 145.51 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 50.9 t -98.12 126.68 39.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.609 0.718 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.54 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.6 Cg_endo -69.77 6.07 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.67 2.246 . . . . 0.0 112.332 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.566 ' CD2' ' NE2' ' A' ' 57' ' ' GLN . 21.1 m-85 -111.58 -63.33 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.4 p -90.28 -8.16 51.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 23.6 mt-10 56.29 49.12 15.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 61.7 mttt -131.47 151.77 51.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.466 ' CA ' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -89.94 126.28 35.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 39.5 m-85 -128.06 168.11 15.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 54' ' ' HIS . 20.6 p -82.58 145.59 29.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.4 mm? -36.53 -41.0 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -61.95 -42.55 99.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 51' ' ' CYS . 47.4 m170 -109.02 35.92 3.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.633 ' HB2' HG11 ' A' ' 41' ' ' VAL . 26.0 ptt180 -71.65 -40.22 69.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.447 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 25.4 t60 -63.43 164.08 9.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.566 ' NE2' ' CD2' ' A' ' 45' ' ' TYR . 40.1 mt-30 -66.94 -75.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 m -43.94 -42.0 5.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -47.41 -51.42 20.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.531 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.1 p-80 -96.37 28.23 3.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 43.69 50.48 6.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.6 t -43.62 102.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 14.2 pt-20 -45.86 -44.32 14.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 31.1 mmmt -43.96 -47.75 8.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.6 mt -39.94 160.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -81.23 41.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.5 p -150.9 136.45 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -104.43 177.33 4.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.449 ' CD ' ' HB2' ' A' ' 71' ' ' ARG . 1.8 pptp? -117.75 128.33 26.07 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.597 0.713 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 76.5 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.665 2.243 . . . . 0.0 112.375 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.449 ' HB2' ' CD ' ' A' ' 69' ' ' LYS . 48.0 mtt85 -153.17 139.07 18.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -170.19 136.17 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.12 107.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.73 154.0 30.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 75' ' ' THR . 8.9 t -50.62 112.93 0.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -79.6 176.5 9.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.0 147.26 34.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.5 tp -106.54 149.47 27.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.4 m -138.9 137.7 42.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -150.76 137.7 19.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -114.99 165.52 12.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.7 115.15 5.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 140.85 43.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.26 . . . . 0.0 112.353 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 t -126.01 158.92 34.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 m -93.62 144.29 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.49 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p -165.96 153.71 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.371 . . . . 0.0 110.834 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.3 p -157.54 131.09 7.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.8 165.6 20.15 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.453 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -154.24 158.08 39.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.9 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -164.32 136.26 4.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.19 173.65 37.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.9 t -165.68 149.14 7.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.2 p -162.82 128.31 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -127.93 161.85 28.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.3 t -134.91 136.19 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -140.01 140.16 36.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -174.33 147.52 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 14' ' ' VAL . 14.0 p -113.67 128.9 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -84.69 146.37 27.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -111.55 108.3 17.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.8 mtm180 -47.75 124.37 10.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 157.65 59.64 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.661 2.241 . . . . 0.0 112.353 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' THR . 46.5 mttm -103.37 -52.66 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' LYS . 39.6 p 34.44 39.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -39.7 110.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -65.73 112.48 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -69.63 102.37 1.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -56.02 135.31 52.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.6 m -151.98 125.55 8.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.49 ' O ' HG12 ' A' ' 36' ' ' VAL . 61.6 m-85 -107.26 135.14 49.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.621 ' HA ' HG12 ' A' ' 36' ' ' VAL . 88.2 p -81.93 137.66 35.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.832 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.4 t -67.58 145.66 54.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -100.67 32.66 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -102.34 136.97 41.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -67.87 94.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.75 35.74 1.82 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.4 t -143.53 130.3 20.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.378 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.7 p -126.63 42.04 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.02 145.62 35.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.621 HG12 ' HA ' ' A' ' 27' ' ' SER . 15.9 m -126.32 171.99 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -150.95 160.65 43.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.3 mt -56.48 -44.89 81.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -94.0 -179.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -125.2 94.93 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.811 HG11 ' HB2' ' A' ' 55' ' ' ARG . 97.8 t -70.47 94.35 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' A' ' 49' ' ' ASN . 43.0 mm -92.15 140.56 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 53.3 t -88.09 124.64 66.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.654 0.74 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.511 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.3 Cg_endo -69.72 5.57 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.376 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.554 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 17.3 m-85 -110.37 -62.78 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.8 p -91.0 -11.76 37.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 35.0 mt-10 60.24 47.49 9.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 60.2 mttt -123.47 152.87 41.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.556 ' HA ' HD13 ' A' ' 42' ' ' ILE . 37.6 t30 -89.54 133.58 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 45.4 m-85 -140.81 174.4 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' HIS . 28.8 p -93.45 151.57 19.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.4 mm? -38.15 -40.81 0.53 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -63.0 -43.76 97.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' CYS . 26.1 m170 -106.25 33.42 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.811 ' HB2' HG11 ' A' ' 41' ' ' VAL . 25.2 ptt180 -76.8 -37.63 55.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.507 ' N ' ' OD2' ' A' ' 59' ' ' ASP . 2.6 t-160 -55.63 -175.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.554 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 12.2 mt-30 -95.59 -48.24 5.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -83.29 35.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.507 ' OD2' ' N ' ' A' ' 56' ' ' HIS . 54.8 p-10 -128.39 -29.63 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.485 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 3.2 p-80 -110.94 25.26 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 t70 48.59 46.64 21.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.2 t -43.02 113.46 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.01 -33.14 66.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.437 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 1.5 mmmp? -61.82 -44.92 95.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.2 mt -41.73 164.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -89.52 41.33 1.03 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -90.13 142.98 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.44 139.91 41.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.054 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -117.01 141.99 29.21 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.62 0.724 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.413 ' HG2' ' H ' ' A' ' 71' ' ' ARG . 53.5 Cg_endo -69.75 -83.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.329 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.413 ' H ' ' HG2' ' A' ' 70' ' ' PRO . 37.1 ptt85 41.82 42.96 2.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.826 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 71' ' ' ARG . 3.8 ttt -37.63 -45.43 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.9 111.03 1.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.0 150.28 27.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.3 t -113.04 149.08 33.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -66.34 159.5 26.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.949 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.5 ttpp -157.71 147.06 19.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 78' ' ' LEU . 4.3 mm? -62.49 99.04 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 87.7 t -144.89 129.4 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -164.05 118.57 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.3 m -81.46 -60.08 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.74 169.9 15.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.448 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 137.01 34.51 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.5 p -164.2 137.83 5.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.3 m -129.79 142.67 50.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.505 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -169.16 164.99 11.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.918 0.389 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.4 p -125.53 168.39 13.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.53 111.82 0.9 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.453 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.3 p -57.54 156.59 7.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.9 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 m -104.0 -52.14 3.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.42 154.33 8.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.479 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.8 m -144.07 118.76 9.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.795 0.331 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.1 p -127.35 135.45 50.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -135.24 177.08 8.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.7 p -172.73 128.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.97 164.88 12.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.0 t -122.01 114.34 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -80.4 137.51 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -139.92 144.13 36.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -164.4 124.46 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -146.16 123.56 6.07 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.67 169.23 19.29 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.697 2.265 . . . . 0.0 112.318 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 20' ' ' THR . 17.1 mmtp -83.43 178.17 8.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 19' ' ' LYS . 92.9 m -33.97 108.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.177 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -87.3 71.16 10.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -148.33 175.37 11.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -60.42 159.22 10.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -62.15 127.68 32.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 94.4 p -133.74 127.11 32.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.466 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 67.1 m-85 -111.88 120.73 42.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.426 ' HA ' HG12 ' A' ' 36' ' ' VAL . 50.7 m -74.48 134.54 42.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.7 t -64.24 132.88 51.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.69 35.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.488 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 24.9 t80 -104.7 152.15 22.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.488 ' O ' ' CE2' ' A' ' 30' ' ' PHE . 34.1 tttt -70.94 100.16 1.91 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.86 41.89 2.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.7 t -160.16 128.52 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.935 0.398 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -124.57 -9.02 7.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -47.71 152.06 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.823 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 27' ' ' SER . 14.4 m -125.29 171.38 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -147.12 156.4 42.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -53.9 -43.03 69.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.4 m -101.1 177.74 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.466 ' HB2' ' CG ' ' A' ' 26' ' ' TYR . . . -121.17 112.81 19.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.095 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.738 HG11 ' HB2' ' A' ' 55' ' ' ARG . 90.8 t -90.03 91.84 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.462 HD13 ' CA ' ' A' ' 49' ' ' ASN . 36.9 mm -86.15 144.71 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 53.6 t -96.7 126.29 43.67 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.681 0.753 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.505 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.9 Cg_endo -69.79 5.6 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.64 2.227 . . . . 0.0 112.366 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.533 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 20.1 m-85 -109.76 -64.74 1.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.7 p -88.26 -13.55 40.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 73.2 mt-10 62.51 47.27 5.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.594 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 51.0 mttt -128.43 154.14 46.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.462 ' CA ' HD13 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -92.17 131.88 37.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.594 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 30.9 m-85 -134.54 170.1 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 54' ' ' HIS . 16.2 p -86.8 146.08 26.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.5 mm? -36.1 -42.25 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.407 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 9.9 mmt180 -60.84 -42.48 97.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 51' ' ' CYS . 25.1 m170 -111.12 39.98 2.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.738 ' HB2' HG11 ' A' ' 41' ' ' VAL . 19.5 ptt85 -78.09 -42.11 33.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -57.96 163.34 2.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.533 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 36.4 mt-30 -65.98 -73.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.1 m -45.82 -39.71 8.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.77 -48.01 30.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.529 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.1 p-80 -99.67 33.72 2.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 60' ' ' HIS . 1.1 p30 38.01 49.42 1.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.7 t -42.26 116.95 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 4.7 pt-20 -62.77 -37.35 86.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 1.4 mmmp? -51.82 -38.89 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 64' ' ' LYS . 41.2 mt -48.06 177.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -76.3 47.29 0.46 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.3 m -98.31 155.31 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.93 113.2 6.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.444 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -143.75 110.39 5.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.697 . . . . 0.0 110.875 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 71' ' ' ARG . 53.8 Cg_endo -69.77 12.54 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.268 . . . . 0.0 112.382 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' A' ' 69' ' ' LYS . 44.5 mtm180 -37.06 122.28 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 29.2 mtt -106.48 178.16 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 53.7 42.72 31.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.45 144.56 33.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.071 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.7 p -48.9 164.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -72.31 151.05 43.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 78' ' ' LEU . 20.2 tptm -38.03 153.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.692 HD23 ' H ' ' A' ' 78' ' ' LEU . 2.6 pt? -97.55 143.19 28.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.8 t -69.91 -50.51 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -53.72 95.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.3 t -138.17 164.63 28.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 179.28 169.8 40.25 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -177.55 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.323 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.5 t -91.65 132.53 36.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.8 t -86.4 170.19 12.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.46 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m -156.84 147.32 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 p -85.13 177.18 7.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.87 131.35 7.5 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.528 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -112.25 174.75 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.374 . . . . 0.0 110.823 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -138.96 150.53 45.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.06 162.75 11.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.8 t -160.52 123.81 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.4 m -121.1 81.81 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -170.47 168.48 7.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -162.48 145.02 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -115.66 168.45 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.4 p -144.76 144.67 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.8 t -95.61 121.56 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -130.84 81.06 1.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 17' ' ' ARG . 10.3 pt-20 -72.61 116.82 13.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 16' ' ' GLU . 25.4 mmt180 -36.61 152.02 0.1 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.657 0.741 . . . . 0.0 110.832 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 126.61 13.49 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -110.42 86.91 2.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.6 p -119.76 92.48 3.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -133.99 41.98 2.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -129.14 172.43 11.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -109.6 127.08 54.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.2 167.01 22.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.4 p -137.42 128.65 27.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.822 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.785 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 22.3 m-85 -125.96 135.58 52.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.936 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.695 ' HA ' HG12 ' A' ' 36' ' ' VAL . 50.4 m -85.15 143.4 28.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.6 t -63.58 143.35 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.491 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 4.3 t -104.03 33.21 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.493 ' CG ' ' N ' ' A' ' 31' ' ' LYS . 48.1 t80 -101.19 162.08 13.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.493 ' N ' ' CG ' ' A' ' 30' ' ' PHE . 77.3 tttt -86.18 91.05 8.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.58 37.35 1.31 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.9 t -148.27 131.38 16.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.8 p -127.94 36.0 4.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -100.87 153.24 19.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 27' ' ' SER . 30.0 m -124.96 -177.04 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.418 ' CD ' ' O ' ' A' ' 36' ' ' VAL . 67.9 mm-40 -157.95 160.4 37.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.14 -47.66 77.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -98.66 175.41 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.785 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . . . -116.0 104.38 11.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.484 HG11 ' HB2' ' A' ' 55' ' ' ARG . 93.2 t -80.02 95.79 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.1 mm -89.22 138.75 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 52.7 t -89.14 126.17 59.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.663 0.744 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.539 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 53.8 Cg_endo -69.75 5.67 1.61 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.715 2.277 . . . . 0.0 112.357 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.548 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 18.8 m-85 -111.27 -63.47 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 18.6 p -90.31 -7.64 52.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 7.8 mt-10 55.86 43.11 28.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 72.8 mttt -120.46 159.06 25.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.588 ' OD1' ' HB1' ' A' ' 40' ' ' ALA . 6.7 t30 -94.11 132.61 38.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 46.6 m-85 -137.68 177.07 8.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 54' ' ' HIS . 17.0 p -98.12 146.96 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 52' ' ' LEU . 3.8 mm? -38.05 -40.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -62.46 -40.93 98.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 51' ' ' CYS . 31.0 m170 -114.12 37.41 3.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.484 ' HB2' HG11 ' A' ' 41' ' ' VAL . 21.6 ptt-85 -74.04 -47.39 37.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.401 ' N ' ' CG ' ' A' ' 55' ' ' ARG . 30.7 t-80 -51.79 161.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.548 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 38.4 mt-30 -64.61 -74.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.1 p -44.72 -40.67 6.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.21 -52.23 16.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.536 ' CE1' ' HA ' ' A' ' 57' ' ' GLN . 3.3 p-80 -94.81 25.23 4.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.1 t0 44.06 51.6 7.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 8.3 t -43.53 112.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.69 -34.22 74.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' HG3' ' C ' ' A' ' 45' ' ' TYR . 2.5 mmmp? -53.93 -43.69 69.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.9 mt -39.73 160.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -122.17 72.77 1.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 68' ' ' ALA . 98.2 t -106.98 134.49 48.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 67' ' ' VAL . . . -35.67 104.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.426 ' C ' ' H ' ' A' ' 71' ' ' ARG . 29.2 mttt -116.07 160.45 35.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.556 0.693 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 71' ' ' ARG . 53.8 Cg_endo -69.76 11.77 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.426 ' H ' ' C ' ' A' ' 69' ' ' LYS . 59.5 mtm180 -42.61 167.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.6 mtp -44.21 167.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 74' ' ' ALA . . . -129.1 153.35 47.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 73' ' ' ALA . . . 67.43 42.27 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.4 m -55.98 120.2 7.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -58.01 115.44 2.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -169.88 147.46 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -57.93 109.45 0.73 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.4 m -146.36 131.53 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -158.46 130.76 6.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.2 m -99.44 178.15 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.55 -166.31 36.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.72 14.99 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.663 2.242 . . . . 0.0 112.34 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.6 p -100.99 175.61 5.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.796 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.9 t -107.48 152.06 24.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.468 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 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 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -143.94 168.4 20.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.379 . . . . 0.0 110.841 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.0 p -126.59 177.51 6.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.52 73.76 0.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 t -165.03 151.39 10.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.897 0.38 . . . . 0.0 110.844 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 p -75.9 164.97 25.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.37 166.67 49.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.1 p -135.58 149.08 49.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.348 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.5 p -126.26 134.23 51.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -92.88 164.56 13.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 11' ' ' VAL . 8.0 p -161.1 126.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -169.97 151.51 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.5 p -173.83 142.49 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.8 m -80.54 146.74 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -91.39 138.36 31.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -59.54 128.2 35.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -85.17 121.28 73.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.7 . . . . 0.0 110.844 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 119.42 6.37 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -75.77 114.68 14.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 74.8 p -100.59 172.07 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -128.93 158.29 39.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -108.69 100.72 9.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -130.81 118.54 20.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.83 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -85.6 151.43 23.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.0 p -137.87 126.59 23.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.52 ' CE1' ' HB2' ' A' ' 40' ' ' ALA . 52.2 m-85 -112.62 141.13 46.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.5 p -90.69 130.46 36.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.6 t -56.14 145.7 25.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 t -105.66 36.6 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -106.29 152.0 24.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -77.31 96.29 4.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.39 41.36 1.64 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.7 t -145.66 127.33 15.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.939 0.399 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.4 p -124.97 39.89 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.122 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -108.54 150.53 27.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.496 ' C ' ' CD ' ' A' ' 37' ' ' GLU . 22.9 m -123.06 165.52 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.496 ' CD ' ' C ' ' A' ' 36' ' ' VAL . 14.4 mp0 -144.83 151.75 39.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 mt -54.32 -47.61 72.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -90.22 176.63 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.52 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . . . -123.43 96.79 5.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.652 HG11 ' HB2' ' A' ' 55' ' ' ARG . 72.5 t -76.39 100.17 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.1 mm -93.84 143.56 11.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 48.3 t -94.17 126.52 48.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.721 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.518 ' HG2' ' CE1' ' A' ' 45' ' ' TYR . 54.0 Cg_endo -69.76 5.94 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.731 2.288 . . . . 0.0 112.349 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.548 ' CZ ' ' OE1' ' A' ' 57' ' ' GLN . 18.1 m-85 -112.16 -63.13 1.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.8 p -90.87 -7.89 50.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 27.9 mt-10 54.3 46.39 25.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 30.5 mttm -122.74 153.5 39.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -90.4 129.77 36.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 48' ' ' LYS . 44.4 m-85 -133.31 175.18 9.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 54' ' ' HIS . 21.7 p -94.93 146.64 24.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' CYS . 4.6 mm? -34.96 -42.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -60.53 -45.56 93.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 51' ' ' CYS . 26.9 m170 -106.61 35.89 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.652 ' HB2' HG11 ' A' ' 41' ' ' VAL . 32.8 ptt-85 -77.45 -43.19 33.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -57.54 158.02 6.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.548 ' OE1' ' CZ ' ' A' ' 45' ' ' TYR . 12.2 mt-30 -65.25 -52.07 56.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.3 m -82.18 39.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -134.63 -35.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -103.52 22.4 14.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.823 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 52.4 48.69 22.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.471 ' HB3' HD12 ' A' ' 65' ' ' LEU . 8.8 t -43.75 117.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.45 ' HG2' ' N ' ' A' ' 64' ' ' LYS . 21.1 pm0 -66.63 -30.94 71.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.45 ' N ' ' HG2' ' A' ' 63' ' ' GLU . 2.2 mmmp? -61.24 -43.5 98.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.471 HD12 ' HB3' ' A' ' 62' ' ' CYS . 17.5 mt -41.62 159.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -79.72 46.0 0.74 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.3 m -113.81 77.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -123.14 97.43 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.4 127.43 80.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.614 0.721 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 5.96 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 72' ' ' MET . 29.6 mtm180 -94.45 150.63 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 71' ' ' ARG . 7.8 mtt -37.36 146.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -132.64 146.24 51.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.82 87.16 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.0 m -120.73 100.48 7.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -117.3 142.97 46.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -73.0 137.76 45.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.15 102.64 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 80' ' ' ARG . 8.2 p -47.93 -42.5 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.456 ' N ' HG13 ' A' ' 79' ' ' VAL . 56.7 ttp180 -92.79 111.01 22.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.4 t -173.5 131.14 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.93 72.81 0.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -169.59 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.9 t -51.55 104.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.1 t 46.47 48.56 13.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.541 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_