data_2dbc_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 2dbc _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.423 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.866 0.365 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -103.33 -177.45 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.24 37.38 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -170.22 165.01 9.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.5 tp -95.53 121.59 37.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.7 mtm-85 -116.37 167.3 11.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -119.11 143.86 46.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.42 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 29.7 pt -129.0 161.53 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -87.42 176.32 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.27 -64.8 3.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -51.34 -23.71 3.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.758 0.314 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -80.8 -34.69 33.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.523 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 1.7 t80 -41.43 -46.05 3.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.9 t -72.73 -69.33 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -46.66 -20.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -95.25 -74.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.45 ' CG1' ' HB2' ' A' ' 87' ' ' TYR . 14.1 t -63.15 -64.95 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.4 m -48.43 -56.82 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -84.3 25.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 24' ' ' VAL . . . -67.59 172.01 5.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.438 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 4.8 tp10 -56.82 174.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -79.59 -69.24 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -84.92 45.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.438 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 12.3 tp -122.53 147.16 46.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.545 ' CZ3' ' HG3' ' A' ' 93' ' ' GLU . 80.0 m95 -113.3 107.38 15.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 66.9 t -100.53 113.63 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.6 t -109.95 107.33 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.2 tt -97.92 147.07 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.559 ' CE1' ' HB ' ' A' ' 48' ' ' VAL . 6.0 t-80 -138.86 106.65 5.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 mt -73.16 122.78 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -122.0 151.81 40.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -138.08 131.46 30.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.4 t -56.54 -14.4 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 p -85.75 -39.54 17.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 t -88.33 122.52 69.6 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.625 0.726 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -44.28 2.15 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.421 ' SD ' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -43.55 -55.92 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' VAL . 33.5 m -48.94 -58.46 4.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 45' ' ' CYS . 61.0 mt -36.49 -48.01 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.2 t -67.26 -41.75 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 39.9 t -58.65 -32.38 46.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -69.65 -36.9 76.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -56.19 -44.23 79.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.449 ' ND1' HD13 ' A' ' 109' ' ' LEU . 34.4 m-70 -67.79 -39.71 84.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.608 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.54 -22.74 67.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.6 t -70.03 -45.01 68.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.442 HG11 ' N ' ' A' ' 55' ' ' LEU . 7.1 p -85.27 -27.46 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.442 ' N ' HG11 ' A' ' 54' ' ' VAL . 31.7 mt -71.61 -16.08 62.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.971 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.05 -40.0 54.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.415 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 1.1 ptm85 -81.18 -21.89 39.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -77.79 -41.52 37.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -124.82 86.36 56.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -19.91 35.29 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.669 2.246 . . . . 0.0 112.334 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -66.69 -43.95 83.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.3 m -80.53 125.21 29.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.12 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -79.97 115.12 19.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -104.74 135.75 45.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.1 m -153.03 151.7 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.01 146.71 50.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.58 147.96 32.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.829 0.347 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.513 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 34.0 mt -71.35 155.9 92.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.573 0.701 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.72 163.44 81.72 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.377 -0.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.614 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 21.4 m -139.8 126.44 20.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.181 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 77.8 mt -127.24 136.05 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.614 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 62.1 m-85 -130.13 137.77 50.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.6 t -115.01 117.12 54.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.535 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 35.9 m-85 -115.94 128.88 56.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -109.18 -60.87 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -124.31 43.31 3.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.43 25.06 44.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.478 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.535 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 9.7 pt20 -131.13 -177.65 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.0 mt -106.06 83.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.545 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 6.0 mm-40 -54.96 -39.68 69.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -168.18 132.45 2.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.461 ' HG3' ' CD1' ' A' ' 97' ' ' ILE . 0.7 OUTLIER -122.6 149.97 43.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.556 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.6 OUTLIER -138.0 113.87 9.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 95' ' ' LYS . 5.2 mp -121.31 125.92 74.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.81 141.0 8.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 78.8 mt -50.6 -48.12 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 111.163 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.2 mp -64.45 -51.63 65.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -53.69 -28.83 35.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.9 m -96.01 23.26 6.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.7 -55.91 1.01 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.442 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.69 166.96 13.47 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.458 HD11 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -55.32 -14.48 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 111.142 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.458 ' N ' HD11 ' A' ' 105' ' ' ILE . 10.5 p30 -109.45 23.27 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.6 tp -67.28 132.1 47.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -91.36 166.54 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.449 HD13 ' ND1' ' A' ' 51' ' ' HIS . 14.2 tp -66.78 -27.95 68.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -80.91 -44.17 18.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -48.56 -54.74 13.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.5 tp -64.88 -41.29 95.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -52.47 -20.49 2.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.481 ' O ' ' N ' ' A' ' 117' ' ' SER . 18.1 t90 -88.75 -52.47 5.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -38.87 -51.88 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.8 mt -65.5 -31.39 72.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.4 t -70.48 -58.33 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -47.09 -24.67 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.6 t -81.38 -37.15 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.074 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 123.22 1.33 9.41 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.25 -39.85 68.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.768 0.318 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 36.3 pt -140.59 179.97 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.506 ' NE2' ' H ' ' A' ' 123' ' ' GLN . 1.7 pm0 -122.94 91.21 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.2 t -85.58 178.27 7.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.4 mttt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.798 0.332 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -99.67 -176.05 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.94 33.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -174.85 143.58 0.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.0 tp -74.06 125.11 27.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -108.42 -176.04 2.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.42 ' OE1' ' C ' ' A' ' 14' ' ' GLU . 1.6 tm-20 -137.15 130.12 30.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.9 pt -125.89 162.08 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.53 168.39 10.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.41 -64.0 4.7 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -45.99 -30.23 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.321 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 20' ' ' TYR . 55.8 mm-40 -80.99 -35.79 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.491 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 2.8 t80 -34.26 -45.25 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.1 t -72.67 -59.23 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.168 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -54.96 -14.26 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -105.15 -70.54 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.45 HG21 ' CG1' ' A' ' 33' ' ' VAL . 61.3 t -65.62 -71.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 83.4 m -40.86 -65.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -84.04 31.99 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 24' ' ' VAL . . . -58.87 155.06 13.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -44.35 156.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -66.17 131.44 46.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 57.08 42.72 25.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.5 tp -115.4 136.62 52.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.573 ' CZ2' ' HE2' ' A' ' 88' ' ' LYS . 87.9 m95 -91.58 104.93 17.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.45 ' CG1' HG21 ' A' ' 24' ' ' VAL . 76.8 t -106.12 114.47 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.126 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.08 99.76 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.183 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.412 HD12 ' CD2' ' A' ' 20' ' ' TYR . 11.4 tt -92.24 149.76 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.463 ' CE1' ' HB ' ' A' ' 48' ' ' VAL . 7.8 t-80 -140.34 112.73 7.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 mt -76.18 88.97 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -83.8 152.97 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HG3' ' CD1' ' A' ' 81' ' ' LEU . 14.1 mmm180 -146.79 141.67 26.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.2 t -66.82 -44.39 81.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.5 m -53.49 -39.72 64.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 t -88.74 125.06 64.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.587 0.708 . . . . 0.0 111.177 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -50.56 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.713 2.275 . . . . 0.0 112.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.93 -57.48 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.1 m -38.11 -58.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.1 mt -38.0 -51.92 1.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.96 -42.79 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.463 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 11.5 t -60.94 -36.33 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.25 -38.57 75.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -57.8 -50.08 74.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -65.89 -40.04 91.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.557 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.4 mt -56.41 -50.62 71.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.8 t -45.3 -43.11 10.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.2 t -78.34 -45.6 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.08 -11.24 5.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.64 -38.88 17.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -81.78 -18.6 43.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 tttt -84.6 -44.4 13.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -115.71 92.11 32.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -26.43 27.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.268 . . . . 0.0 112.357 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -59.94 -52.62 64.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 85.6 m -70.35 125.48 26.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.116 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -87.78 97.15 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -86.66 132.3 33.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.1 m -148.64 147.76 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.411 ' NZ ' ' HB2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -127.99 144.53 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.98 129.85 21.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.084 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 88.0 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.52 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 15.2 mt -143.27 153.53 59.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.73 169.47 63.07 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.333 -0.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 m -146.79 138.37 24.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 71.2 mt -133.95 139.27 48.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -132.23 133.83 44.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.7 t -112.77 127.54 69.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -120.48 134.42 55.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.573 ' HE2' ' CZ2' ' A' ' 32' ' ' TRP . 8.7 tppt? -103.92 -59.87 1.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -131.32 22.88 4.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.2 6.34 15.99 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -122.97 154.06 38.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 0.0 110.952 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.4 mt -77.91 93.52 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -67.78 -28.68 67.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.39 139.45 5.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -131.81 149.04 52.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -134.38 99.62 4.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.455 HD13 ' N ' ' A' ' 97' ' ' ILE . 4.9 mp -113.4 118.28 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.4 147.86 7.59 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.5 mm -50.79 -54.83 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.0 111.098 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.0 mp -65.93 -46.35 88.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 13.3 mt-10 -54.12 -30.48 48.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 38.6 t -87.34 -15.29 38.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 131.1 -35.51 2.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.86 155.49 20.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.475 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.46 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -52.17 -23.15 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.133 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.46 ' N ' HD12 ' A' ' 105' ' ' ILE . 0.7 OUTLIER -104.1 26.71 8.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.2 tp -66.37 126.52 29.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -83.78 154.08 23.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.3 tp -58.14 -35.62 71.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.26 -38.1 56.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -56.31 -53.31 58.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.1 tp -59.59 -40.41 87.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -48.59 -31.03 6.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.8 t90 -74.31 -57.03 4.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -38.72 -51.72 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.97 -31.22 72.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 120' ' ' GLY . 1.6 t -73.63 -61.57 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -40.81 -26.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 117' ' ' SER . 82.2 t -83.09 -37.91 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 121.62 -1.98 11.15 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.565 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -67.02 -40.24 87.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.744 0.307 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 35.6 pt -140.05 -177.31 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -123.64 103.83 8.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 59.8 p -102.87 161.53 13.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.811 0.339 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -111.09 -175.53 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.54 40.84 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.489 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.14 179.59 2.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.9 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.6 tp -111.0 136.27 50.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -130.88 -176.66 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -131.69 141.57 49.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.421 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 39.5 pt -129.94 163.58 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.2 m -90.93 176.57 6.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.49 -65.35 3.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -48.03 -25.49 1.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.333 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 20' ' ' TYR . 15.3 mm100 -82.11 -38.5 24.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.523 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 1.8 t80 -36.13 -39.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 23' ' ' GLU . 64.2 t -77.75 -71.23 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -43.82 -22.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' VAL . 5.3 mm-40 -94.42 -72.01 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.416 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 24.1 t -69.54 -71.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.402 ' HB ' ' CG1' ' A' ' 21' ' ' VAL . 44.1 m -40.85 -66.26 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -84.82 32.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 24' ' ' VAL . . . -60.17 163.8 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -46.14 171.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 30' ' ' ASP . 19.6 tttp -65.08 136.49 56.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER 34.44 46.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 tp -109.32 129.0 55.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.556 ' CE3' ' HA ' ' A' ' 121' ' ' ALA . 81.0 m95 -79.96 134.67 36.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.6 t -137.49 113.02 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.0 t -104.19 108.22 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.5 tt -98.58 148.97 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.563 ' CD2' HG12 ' A' ' 48' ' ' VAL . 22.6 t-80 -138.55 120.18 15.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mt -92.15 104.66 17.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.508 ' CZ ' HD11 ' A' ' 68' ' ' ILE . 23.0 p90 -91.5 163.39 14.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.457 ' HD3' ' CD1' ' A' ' 81' ' ' LEU . 19.9 mtp180 -152.61 132.21 13.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.5 p -58.1 -30.28 66.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 t -72.15 -33.88 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.4 t -87.88 119.62 70.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -46.85 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.362 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -51.79 -52.08 51.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 44' ' ' MET . 25.6 m -35.31 -56.31 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.9 mt -44.23 -47.83 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 67.9 t -59.04 -49.22 84.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.563 HG12 ' CD2' ' A' ' 36' ' ' HIS . 48.5 t -54.28 -41.3 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -63.71 -38.56 91.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -54.08 -50.69 66.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -67.52 -48.79 66.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.548 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.465 HD11 ' CB ' ' A' ' 36' ' ' HIS . 30.2 mt -42.77 -34.92 1.01 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -65.31 -45.82 82.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.5 t -72.98 -38.03 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.8 mt -69.1 -25.96 64.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.36 -44.27 75.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -79.3 -24.92 42.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -71.84 -39.67 69.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -121.79 87.38 46.4 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.68 0.752 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -18.64 37.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.381 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -71.33 -40.35 70.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.8 m -87.25 134.32 33.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -81.63 143.85 31.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -134.26 129.72 36.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.6 m -147.97 169.25 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -144.65 147.56 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.33 145.1 31.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.508 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 7.9 mm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.842 0.353 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.531 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 15.2 mt -95.36 152.33 39.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.79 167.1 72.31 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.292 -0.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.443 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 65.1 m -137.06 127.11 25.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.6 mt -126.83 134.95 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.443 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 61.6 m-85 -128.2 122.98 33.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.2 t -102.0 126.19 56.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 23.6 m-85 -121.89 132.98 54.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.527 ' HG3' ' CZ2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -109.54 -63.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -124.14 39.79 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.06 22.57 32.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.528 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 10.3 pt20 -128.83 -177.69 4.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.77 0.319 . . . . 0.0 110.897 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.9 mt -106.73 83.45 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.507 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 57.0 mm-40 -51.16 -41.65 60.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.54 136.19 4.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -118.98 145.13 46.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.931 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -132.33 98.47 4.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.44 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 5.2 mp -114.24 115.18 48.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 124.24 148.68 7.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.7 mm -53.75 -57.04 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.4 mp -64.41 -40.78 90.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 10.8 mt-10 -55.23 -25.52 33.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 14.3 t -102.86 26.81 7.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.76 -31.91 5.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.44 170.41 22.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.482 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.465 HD11 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -60.17 -11.49 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 111.124 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.465 ' N ' HD11 ' A' ' 105' ' ' ILE . 7.3 p30 -105.8 14.48 28.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.7 tp -56.12 112.72 1.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -75.12 168.24 20.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.9 tp -66.73 -30.66 70.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -80.73 -47.14 14.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -49.02 -47.42 44.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.9 tp -62.49 -37.15 84.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -53.91 -39.87 66.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.489 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.7 t90 -68.91 -54.03 17.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -38.92 -49.58 1.68 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.8 mt -68.9 -30.76 69.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 120' ' ' GLY . 1.4 t -72.11 -60.55 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -41.96 -25.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 117' ' ' SER . 83.3 t -83.35 -36.39 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 121.94 -2.09 10.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.451 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.556 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -66.04 -37.56 86.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.319 . . . . 0.0 111.103 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 35.2 pt -145.61 179.04 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -119.59 100.9 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.0 p -95.71 157.15 16.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.6 mttt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.818 0.342 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -105.88 -179.66 4.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.11 39.22 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -174.52 170.86 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.6 tp -104.84 123.03 46.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -113.85 -178.61 3.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -132.22 130.23 40.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.5 pt -120.96 164.02 17.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 m -88.13 178.7 6.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.75 -68.24 1.73 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -46.16 -25.99 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.754 0.312 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -80.7 -35.67 33.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.545 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 1.2 t80 -38.1 -47.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.412 HG11 ' CB ' ' A' ' 25' ' ' THR . 73.7 t -70.16 -66.55 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -44.7 -21.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.473 ' O ' ' CA ' ' A' ' 27' ' ' ALA . 60.2 mm-40 -99.54 -74.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.1 t -57.85 -55.33 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.412 ' CB ' HG11 ' A' ' 21' ' ' VAL . 33.0 m -62.32 -65.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -83.39 34.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.473 ' CA ' ' O ' ' A' ' 23' ' ' GLU . . . -60.32 174.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -53.05 -174.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 30' ' ' ASP . 11.9 tttm -73.43 131.65 42.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 29' ' ' LYS . 2.6 p30 35.5 39.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.9 tp -93.89 140.41 29.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.56 ' CE3' ' HA ' ' A' ' 121' ' ' ALA . 81.0 m95 -93.74 119.69 33.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.0 t -119.96 111.62 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.9 t -103.47 105.68 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.534 HD13 ' CD2' ' A' ' 20' ' ' TYR . 12.2 tt -99.61 157.07 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.55 ' CE1' ' HB ' ' A' ' 48' ' ' VAL . 3.7 t-80 -148.01 118.77 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mt -85.19 95.39 9.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -83.93 156.67 22.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -148.52 124.19 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -53.15 -35.1 59.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.2 m -66.13 -31.36 72.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 t -95.4 123.26 57.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.61 0.719 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -45.74 1.49 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -48.31 30.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 73.9 m -50.05 -54.6 19.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.0 mt -41.13 -49.36 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.6 t -64.06 -40.36 88.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.55 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 39.2 t -58.3 -38.17 67.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -69.45 -37.43 77.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -56.3 -42.63 77.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.498 ' ND1' ' CD1' ' A' ' 109' ' ' LEU . 34.8 m-70 -76.34 -49.99 15.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.603 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.3 mt -42.25 -34.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -67.3 -48.72 66.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.8 t -68.53 -38.79 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.429 HD12 ' CD1' ' A' ' 116' ' ' LEU . 17.0 mt -67.68 -24.44 65.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.76 -47.37 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -74.26 -27.73 60.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -70.73 -47.83 57.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -116.26 86.56 17.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.655 0.741 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -19.12 36.4 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.344 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -68.3 -43.74 77.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.7 m -84.4 128.46 34.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -72.33 141.85 48.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -133.12 119.58 20.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.7 m -139.2 157.27 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -135.25 142.01 45.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.78 133.05 28.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 75.0 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.817 0.341 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.532 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 14.7 mt -83.34 152.44 64.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.562 0.696 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.74 174.03 42.15 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.389 -0.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.51 HG21 ' CE2' ' A' ' 85' ' ' PHE . 54.2 m -146.35 130.61 17.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.9 mt -131.23 111.04 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.51 ' CE2' HG21 ' A' ' 83' ' ' THR . 45.4 m-85 -108.17 127.51 53.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 46.0 t -107.01 128.1 62.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.438 ' CZ ' HG12 ' A' ' 92' ' ' ILE . 43.6 m-85 -124.61 134.04 53.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.557 ' HG3' ' CZ2' ' A' ' 32' ' ' TRP . 0.8 OUTLIER -114.99 -58.89 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -124.5 36.36 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 92.71 7.94 62.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -120.71 153.37 37.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.923 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.438 HG12 ' CZ ' ' A' ' 87' ' ' TYR . 72.7 mt -79.86 91.27 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.53 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 36.7 mm-40 -57.14 -38.17 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -168.06 133.97 3.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -116.36 142.99 46.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.441 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 3.9 m-85 -129.56 87.93 2.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.442 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 5.3 mp -105.16 118.94 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 113.12 128.45 4.88 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.464 ' CG2' HG21 ' A' ' 105' ' ' ILE . 65.1 mt -35.55 -50.14 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.768 0.318 . . . . 0.0 111.145 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.4 mt -64.42 -52.0 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 97' ' ' ILE . 29.5 mt-10 -51.96 -36.87 50.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 2.0 m -85.67 25.56 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.456 ' N ' ' HE2' ' A' ' 115' ' ' LYS . . . 98.34 -51.04 1.27 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.535 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.36 163.72 11.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.464 HD11 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -56.12 -22.47 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 111.133 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.464 ' N ' HD11 ' A' ' 105' ' ' ILE . 14.1 p30 -97.78 19.05 14.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 60.2 tp -58.18 111.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -77.65 162.75 26.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.498 ' CD1' ' ND1' ' A' ' 51' ' ' HIS . 23.4 tp -58.14 -35.21 71.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -77.86 -50.89 11.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -44.79 -53.97 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.5 tp -57.9 -38.81 76.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -53.53 -36.55 61.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.481 ' O ' ' N ' ' A' ' 117' ' ' SER . 16.6 t90 -73.16 -51.3 18.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.456 ' HE2' ' N ' ' A' ' 103' ' ' GLY . 15.6 mtpp -39.43 -48.73 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.429 ' CD1' HD12 ' A' ' 55' ' ' LEU . 16.8 mt -69.63 -30.59 68.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.4 t -71.5 -58.97 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -43.94 -22.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' A' ' 117' ' ' SER . 95.9 t -83.88 -38.48 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 124.81 -1.36 8.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.56 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -68.97 -41.45 77.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.738 0.304 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 32.2 pt -138.25 -177.2 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -120.66 102.63 8.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.975 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.6 p -86.09 166.11 16.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -100.36 -178.31 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.39 41.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -173.52 155.8 2.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.2 tp -83.28 117.82 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -103.85 -178.7 3.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -140.6 134.29 30.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 26.4 pt -124.6 175.6 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.0 p -105.15 178.48 4.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.13 -60.01 9.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -56.12 -28.2 56.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -78.48 -35.72 46.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.539 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 1.4 t80 -40.49 -45.21 2.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.413 ' C ' ' N ' ' A' ' 23' ' ' GLU . 90.5 t -71.6 -72.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -44.0 -22.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.453 ' O ' ' CA ' ' A' ' 27' ' ' ALA . 5.6 mm-40 -94.9 -73.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.7 t -61.77 -63.02 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.1 m -49.86 -60.1 3.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -87.2 25.51 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.453 ' CA ' ' O ' ' A' ' 23' ' ' GLU . . . -55.27 161.92 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.073 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -48.9 160.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' ASP . 11.9 tppt? -62.44 145.82 53.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' LYS . 3.3 p30 35.38 49.16 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.9 tp -113.39 136.27 52.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.537 ' CE2' ' O ' ' A' ' 120' ' ' GLY . 95.6 m95 -90.62 103.94 16.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.9 t -106.66 106.37 20.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.3 t -102.34 107.49 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.412 ' CG1' ' N ' ' A' ' 36' ' ' HIS . 16.1 tt -99.7 165.47 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.556 ' CE1' HG13 ' A' ' 48' ' ' VAL . 7.1 t-80 -155.6 111.44 3.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 mt -77.33 83.65 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -72.41 156.12 39.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -149.49 121.67 8.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 p -53.28 -24.49 11.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -74.28 -32.27 62.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.1 t -87.67 119.79 70.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.646 0.736 . . . . 0.0 111.083 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -26.79 27.05 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -67.6 -56.82 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' MET . 9.8 p -37.03 -34.51 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.4 mt -47.85 -62.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 48' ' ' VAL . 6.0 p -60.01 -33.55 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.556 HG13 ' CE1' ' A' ' 36' ' ' HIS . 98.8 t -64.04 -37.77 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -74.12 -39.69 63.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -58.31 -49.68 76.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.514 ' CE1' ' HB2' ' A' ' 109' ' ' LEU . 6.9 m-70 -63.7 -42.59 97.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.58 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 39.8 mt -60.59 -20.64 61.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 t -72.51 -44.58 62.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 55' ' ' LEU . 11.9 p -82.87 -31.26 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.411 ' N ' HG12 ' A' ' 54' ' ' VAL . 38.3 mt -69.55 -19.31 63.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.86 -43.68 62.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -79.82 -21.04 44.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 tttp -76.32 -46.33 28.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -115.56 89.31 22.13 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.681 0.753 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -17.54 37.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -70.62 -40.4 73.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.548 HG22 ' CE1' ' A' ' 64' ' ' PHE . 53.6 m -80.82 126.04 30.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -85.78 102.66 13.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.548 ' CE1' HG22 ' A' ' 62' ' ' THR . 56.6 m-85 -94.0 143.16 26.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.0 m -153.82 137.61 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -111.2 117.57 33.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.97 128.94 37.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.082 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.9 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.853 0.359 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 11.6 mt -82.61 153.07 67.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.8 176.11 34.02 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.379 -0.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.539 HG22 ' CE2' ' A' ' 85' ' ' PHE . 70.8 m -149.33 136.2 19.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.169 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.433 ' N ' HG21 ' A' ' 83' ' ' THR . 66.6 mt -136.1 135.46 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.539 ' CE2' HG22 ' A' ' 83' ' ' THR . 48.7 m-85 -131.03 132.66 45.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.2 t -111.92 125.87 69.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -119.21 130.05 55.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.533 ' HE3' ' CZ2' ' A' ' 32' ' ' TRP . 2.8 tppp? -101.35 -58.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -128.9 25.6 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 107.22 14.34 18.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -129.93 155.67 45.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.441 HG23 ' CE ' ' A' ' 95' ' ' LYS . 4.2 mm -76.48 94.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -75.38 -30.22 60.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.85 123.11 1.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.589 ' C ' ' CD1' ' A' ' 96' ' ' PHE . 18.6 ptpt -123.29 161.64 24.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -146.53 112.98 5.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.437 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 5.3 mp -119.33 126.25 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.35 139.57 9.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.6 mt -50.64 -47.58 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.827 0.346 . . . . 0.0 111.084 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.1 mt -64.15 -48.42 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 97' ' ' ILE . 28.2 mt-10 -56.59 -27.77 58.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 37.8 t -96.57 22.22 8.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.04 -52.15 1.02 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 122.3 171.86 13.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.461 HD11 ' ND2' ' A' ' 106' ' ' ASN . 2.5 pp -60.58 -13.68 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 111.128 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.461 ' ND2' HD11 ' A' ' 105' ' ' ILE . 30.3 m-20 -102.62 0.65 33.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.1 tp -45.67 120.01 2.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -81.72 169.06 17.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.514 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 9.4 tp -68.69 -28.73 67.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -84.27 -39.72 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -52.71 -52.69 55.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.1 tp -63.63 -38.6 91.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -52.61 -23.46 6.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.48 ' O ' ' N ' ' A' ' 117' ' ' SER . 20.4 t90 -83.33 -52.88 6.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -39.86 -50.22 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.9 mt -65.59 -30.72 71.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.5 t -72.55 -57.5 4.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -48.93 -20.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 39.1 t -88.89 -36.38 8.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.537 ' O ' ' CE2' ' A' ' 32' ' ' TRP . . . 124.85 -6.16 8.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.513 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -61.14 -42.34 98.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 33.6 pt -141.2 179.45 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -117.15 100.47 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.2 p -110.07 149.58 29.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -121.25 -69.38 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.35 41.61 25.3 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -175.1 146.34 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.932 0.396 . . . . 0.0 110.835 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.9 tp -80.41 132.26 35.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -125.52 173.61 8.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -127.04 144.55 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.9 pt -133.46 174.91 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.6 m -109.6 -178.36 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.44 -47.2 86.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -62.37 -29.97 70.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' TYR . 62.5 mt-30 -82.15 -33.99 29.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.504 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 2.5 t80 -37.93 -50.72 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.15 -68.98 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.183 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -45.72 -21.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -98.52 -75.39 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.6 t -58.98 -59.58 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.7 m -56.39 -65.83 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -82.41 36.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.461 ' CB ' HG23 ' A' ' 33' ' ' VAL . . . -65.65 147.93 52.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 27' ' ' ALA . 47.3 tt0 -34.56 149.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -55.67 137.43 49.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 46.13 47.87 12.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 tp -114.86 134.93 54.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.564 ' CZ3' ' HG3' ' A' ' 93' ' ' GLU . 86.0 m95 -89.92 105.19 17.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.461 HG23 ' CB ' ' A' ' 27' ' ' ALA . 78.5 t -104.22 128.32 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.165 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.8 t -123.34 104.98 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.6 tt -103.9 138.23 29.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -126.63 104.61 8.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.5 mt -70.18 97.5 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -91.7 164.18 13.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 42' ' ' VAL . 7.5 ttt180 -151.47 118.51 5.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.3 t -46.29 -26.91 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -85.03 22.11 1.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 39' ' ' ARG . 24.9 t -141.4 120.38 8.09 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.644 0.735 . . . . 0.0 111.074 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -49.6 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.659 2.239 . . . . 0.0 112.356 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.444 ' O ' ' CG1' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -42.68 -44.74 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.8 m -55.9 -43.14 76.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.3 mt -41.77 -58.8 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 44' ' ' MET . 2.7 p -64.31 -41.03 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.3 t -55.2 -40.16 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -65.85 -45.96 80.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -47.73 -40.14 19.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -72.07 -44.18 63.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.6 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.1 mt -57.7 -33.52 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 t -59.93 -57.0 14.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.473 HG11 ' N ' ' A' ' 55' ' ' LEU . 8.6 p -74.0 -27.2 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.473 ' N ' HG11 ' A' ' 54' ' ' VAL . 35.1 mt -70.16 -19.37 63.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.423 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -75.54 -44.52 43.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -79.03 -35.27 42.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -62.59 -45.64 91.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.417 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 31.4 m-85 -117.87 90.54 36.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.681 0.753 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -37.37 9.36 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.682 2.255 . . . . 0.0 112.397 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -55.53 -50.65 69.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 98.3 m -75.08 125.46 28.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.073 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.7 tttm -71.06 142.78 50.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.423 ' CD2' ' HA ' ' A' ' 56' ' ' ALA . 83.0 m-85 -132.95 117.9 18.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.29 147.33 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.91 142.56 49.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.23 173.15 15.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.095 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.5 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 86.2 m . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.529 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 14.6 mt -137.34 152.88 74.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.75 -178.8 17.51 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.387 -0.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.472 HG21 ' CE2' ' A' ' 85' ' ' PHE . 7.6 m -146.45 138.69 25.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 69.9 mt -144.51 143.54 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.472 ' CE2' HG21 ' A' ' 83' ' ' THR . 76.9 m-85 -144.53 133.33 22.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.2 t -109.09 131.91 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 24.1 m-85 -125.76 132.63 52.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -112.67 -59.76 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -125.7 42.28 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.74 24.68 37.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.56 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 12.5 pt20 -130.77 -174.69 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.1 mt -109.57 84.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.564 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 41.4 mm-40 -53.59 -36.74 62.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.74 139.43 5.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 20.6 pttp -129.33 147.45 51.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.313 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.7 OUTLIER -138.54 108.18 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.417 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 4.2 mp -123.21 118.85 55.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 116.76 125.39 3.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 98' ' ' GLY . 91.4 mt -34.16 -56.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 111.11 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 103' ' ' GLY . 21.2 mt -58.78 -54.76 29.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.417 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 10.9 mt-10 -46.58 -33.97 4.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 7.4 m -92.21 28.18 1.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 100' ' ' ILE . . . 89.63 -37.38 3.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.48 171.56 20.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.484 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.9 pp -58.34 -15.75 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 111.112 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.484 ' N ' HD12 ' A' ' 105' ' ' ILE . 25.6 m120 -90.03 -13.51 35.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.9 tp -38.04 136.99 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.53 161.96 14.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.451 HD13 ' CG1' ' A' ' 54' ' ' VAL . 24.0 tp -53.88 -40.04 66.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.81 -46.67 62.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -48.06 -58.86 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.9 tp -56.02 -43.14 77.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -48.34 -35.96 13.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.7 t90 -70.86 -55.98 7.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.41 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 32.4 mttp -39.47 -47.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.46 -31.17 69.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 114' ' ' TRP . 4.2 t -73.91 -60.61 2.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -42.78 -34.45 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.0 t -72.79 -35.13 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 32' ' ' TRP . . . 118.24 3.08 15.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.509 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -71.12 -51.3 25.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 111.059 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.417 ' HB ' ' CE2' ' A' ' 59' ' ' PHE . 20.7 pt -128.12 -175.77 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -122.44 95.97 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.5 t -95.97 150.55 20.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.846 0.355 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -103.49 -176.27 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.36 36.95 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.467 ' CG ' ' CZ ' ' A' ' 13' ' ' ARG . 7.2 pt-20 -168.58 162.06 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.8 tp -87.45 125.21 34.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.467 ' CZ ' ' CG ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -107.59 176.43 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -130.59 138.81 50.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 46.0 pt -135.68 169.3 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.0 m -106.12 178.33 4.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.96 -48.67 84.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -62.39 -30.12 70.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' TYR . 56.5 mt-30 -80.83 -36.13 31.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.508 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 2.4 t80 -35.92 -49.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.457 ' CG1' ' HB ' ' A' ' 25' ' ' THR . 98.7 t -69.19 -71.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -41.97 -23.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 7.0 mm-40 -96.2 -75.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.2 t -61.88 -52.83 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.457 ' HB ' ' CG1' ' A' ' 21' ' ' VAL . 87.6 m -63.89 -70.39 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.437 ' ND2' HG21 ' A' ' 25' ' ' THR . 3.7 m120 -82.49 36.43 0.48 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 23' ' ' GLU . . . -61.18 176.19 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -57.37 169.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 30' ' ' ASP . 44.1 tttm -65.29 135.22 55.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' LYS . 5.1 p-10 36.39 47.59 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 tp -112.35 135.83 52.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.554 ' CE3' ' HA ' ' A' ' 121' ' ' ALA . 68.7 m95 -87.02 128.27 35.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.6 t -128.95 106.09 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.7 t -98.3 104.41 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.167 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.2 tt -99.95 153.73 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 38' ' ' TYR . 7.9 t-80 -138.05 116.81 12.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.818 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.3 mt -80.35 86.7 5.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.548 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 26.9 p90 -82.03 160.03 23.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.454 ' HB3' ' CG2' ' A' ' 42' ' ' VAL . 17.8 ttt180 -147.31 121.28 9.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.5 p -51.08 -25.87 5.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 m -87.59 20.41 2.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.82 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 39' ' ' ARG . 45.2 t -136.81 122.38 13.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.742 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -42.88 2.99 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.412 ' O ' ' CG1' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -54.86 -45.51 74.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 84.3 m -51.47 -36.65 45.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.8 mt -51.95 -66.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 44' ' ' MET . 2.1 p -52.7 -39.64 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.8 t -55.69 -46.67 79.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.99 -42.89 95.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -52.0 -44.2 64.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -68.93 -42.46 76.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.634 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.07 -27.35 65.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.8 t -65.8 -52.49 50.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.5 p -76.26 -32.21 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.1 mt -66.55 -17.81 65.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.482 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . . . -80.71 -38.34 29.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.38 -17.45 28.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -81.31 -39.51 25.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -120.61 89.48 44.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.728 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -20.1 35.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -68.93 -37.45 78.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 87.9 m -90.61 137.41 32.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.164 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -93.61 114.1 26.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 65.6 m-85 -100.56 135.5 41.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.77 137.0 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -112.02 127.88 56.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.41 129.54 16.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.6 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 34.3 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.865 0.364 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.535 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 6.7 mt -81.26 151.01 68.95 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.641 0.734 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.0 Cg_endo -69.7 169.83 61.2 Favored 'Cis proline' 0 C--O 1.231 0.175 0 C-N-CA 122.734 -1.778 . . . . 0.0 112.363 -0.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.491 HG21 ' CE2' ' A' ' 85' ' ' PHE . 87.6 m -148.02 140.28 24.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.427 ' N ' HG23 ' A' ' 83' ' ' THR . 73.7 mt -137.63 148.61 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.491 ' CE2' HG21 ' A' ' 83' ' ' THR . 65.5 m-85 -145.15 123.52 12.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.0 t -101.01 135.44 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -125.82 136.21 52.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.552 ' HG3' ' CZ2' ' A' ' 32' ' ' TRP . 1.3 tmtt? -121.66 -62.23 1.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -116.21 41.7 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.55 18.48 68.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -127.8 -175.05 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.4 mt -105.22 94.65 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.481 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 44.7 mm-40 -61.54 -39.13 89.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.1 142.56 7.82 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.434 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -128.3 146.06 50.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 3.4 m-85 -133.81 103.19 5.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.8 mp -114.78 123.18 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.29 135.96 6.91 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 104' ' ' GLY . 89.6 mt -48.18 -41.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 111.149 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.6 mt -69.94 -46.91 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.82 -32.74 70.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 10.9 m -82.67 -7.74 59.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.68 -37.0 2.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.508 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 99' ' ' ILE . . . 115.21 163.67 14.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.47 HD11 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -59.35 -16.19 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.334 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.47 ' N ' HD11 ' A' ' 105' ' ' ILE . 7.8 p30 -102.5 10.62 38.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.3 tp -51.43 134.8 28.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.12 141.32 34.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.6 tp -40.58 -33.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -70.97 -47.41 59.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -49.62 -55.45 13.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.4 tp -59.82 -44.38 94.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -47.3 -30.5 3.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.473 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.0 t90 -81.04 -52.79 7.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.501 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 23.0 mttm -40.06 -49.92 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.5 mt -67.16 -30.11 70.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.4 t -74.08 -62.89 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -40.71 -25.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 117' ' ' SER . 79.8 t -80.12 -39.76 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 125.92 0.37 7.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.554 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -70.59 -39.58 73.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.31 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 36.9 pt -140.81 -175.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.46 ' O ' ' CD ' ' A' ' 123' ' ' GLN . 2.4 pp0? -129.04 88.64 2.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.5 p -72.27 -176.2 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.784 0.326 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -102.62 -175.34 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.27 39.85 0.13 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -174.82 173.5 2.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.4 tp -99.41 127.43 45.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -118.57 169.12 10.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -121.02 150.24 41.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.45 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 16.2 pt -137.48 172.13 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -100.19 179.01 4.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -60.27 -74.82 0.32 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.54 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -39.16 -34.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.309 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 20' ' ' TYR . 28.4 mm100 -72.95 -40.26 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 2.2 t80 -34.15 -50.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 23' ' ' GLU . 88.8 t -68.97 -67.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -43.86 -22.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.463 ' O ' ' CA ' ' A' ' 27' ' ' ALA . 9.5 mm-40 -101.81 -74.63 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.447 HG11 ' CG ' ' A' ' 87' ' ' TYR . 22.9 t -56.1 -54.07 31.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.0 m -65.15 -67.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -82.3 35.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.463 ' CA ' ' O ' ' A' ' 23' ' ' GLU . . . -62.8 161.61 12.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.072 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 4.1 tp10 -50.53 157.31 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 14.4 ttmm -61.15 149.76 36.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER 36.74 44.83 0.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tp -123.14 131.99 53.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.52 ' CE2' ' HD3' ' A' ' 88' ' ' LYS . 79.3 m95 -91.93 128.26 37.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.7 t -119.74 94.86 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.9 t -85.96 102.27 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.8 tt -99.84 147.35 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -126.77 118.94 25.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.3 mt -96.78 119.06 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -117.35 145.93 43.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' SER . 28.0 ttt180 -110.17 23.79 13.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t 39.62 25.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 39' ' ' ARG . 4.0 m -127.49 -23.09 3.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.2 t -103.09 133.35 20.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.635 0.731 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -41.34 4.33 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.12 -47.65 34.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 84.2 m -55.53 -50.86 68.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.9 mt -44.34 -52.4 7.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 82.2 t -61.47 -44.25 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.5 t -50.34 -42.91 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -64.92 -39.88 94.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -50.09 -51.62 41.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' LEU . 14.2 m-70 -65.46 -50.55 64.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.622 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' HIS . 18.8 mt -36.91 -36.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.954 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -66.23 -51.57 56.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.73 -36.4 77.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.8 mt -74.96 -27.81 60.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.555 ' HA ' ' CE1' ' A' ' 64' ' ' PHE . . . -64.38 -44.18 92.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 ptm85 -77.31 -37.64 52.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -64.53 -48.17 76.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.452 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 54.4 m-85 -108.9 93.96 13.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.673 0.749 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -33.82 15.78 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.268 . . . . 0.0 112.355 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -55.87 -51.09 68.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.486 HG22 ' CZ ' ' A' ' 64' ' ' PHE . 98.6 m -68.53 132.12 46.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -98.07 99.13 10.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.555 ' CE1' ' HA ' ' A' ' 56' ' ' ALA . 22.0 m-85 -87.66 130.96 34.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.4 m -140.19 142.16 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -104.68 139.05 40.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -164.53 133.64 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.2 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 87.1 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.895 0.379 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.542 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 3.2 mt -60.52 142.64 90.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.727 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.75 165.42 76.64 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.684 -1.799 . . . . 0.0 112.356 -0.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.7 m -140.11 125.97 19.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.442 HG23 ' N ' ' A' ' 85' ' ' PHE . 35.5 mt -138.19 139.5 41.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.442 ' N ' HG23 ' A' ' 84' ' ' ILE . 66.1 m-85 -134.06 129.38 35.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.9 t -100.29 120.95 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CE1' ' CD1' ' A' ' 92' ' ' ILE . 10.3 m-85 -108.97 127.72 54.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.52 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 37.6 tptt -112.23 -54.81 2.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -129.2 42.14 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.71 26.45 50.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -142.25 173.67 11.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.769 0.318 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.582 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 45.5 mm -90.76 99.27 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.458 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 77.6 mm-40 -78.15 -34.12 49.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.11 126.69 1.71 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -115.54 140.5 49.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -130.89 86.99 2.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.458 HD11 ' N ' ' A' ' 97' ' ' ILE . 4.9 mp -106.23 117.19 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.14 129.79 5.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.464 ' N ' ' HD2' ' A' ' 82' ' ' PRO . 82.4 mt -37.56 -48.98 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 0.0 111.12 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.0 mt -59.6 -55.63 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -49.48 -36.97 24.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.407 ' C ' ' HE3' ' A' ' 115' ' ' LYS . 1.8 m -74.76 -22.36 58.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.53 -35.32 2.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.526 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 107' ' ' LEU . . . 115.81 151.97 9.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.533 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.473 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.3 pp -42.34 -27.76 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.351 . . . . 0.0 111.121 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.473 ' N ' HD12 ' A' ' 105' ' ' ILE . 20.5 m120 -85.33 22.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 104' ' ' GLY . 42.2 tp -55.79 108.44 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -82.06 144.9 30.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.1 tp -41.58 -39.0 1.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -80.93 -43.08 20.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -43.79 -54.35 5.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.8 tp -63.42 -42.77 98.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -45.84 -41.55 11.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.49 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.9 t90 -65.48 -55.91 15.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.407 ' HE3' ' C ' ' A' ' 102' ' ' CYS . 14.3 mttm -38.46 -52.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.9 mt -64.11 -31.89 73.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 114' ' ' TRP . 7.4 t -71.62 -61.27 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -41.36 -32.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.5 t -74.4 -39.17 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 123.85 3.08 8.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.513 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -71.52 -45.51 62.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.452 ' HB ' ' CE2' ' A' ' 59' ' ' PHE . 26.9 pt -135.54 -179.95 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -125.49 97.96 5.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.0 p -97.96 157.11 16.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.902 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.569 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 7.6 ptpp? . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.569 ' CD1' ' HG3' ' A' ' 8' ' ' LYS . 4.4 m-85 -107.26 -71.38 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.12 51.23 24.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -175.12 131.73 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.4 tp -68.52 117.35 10.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -109.87 168.79 9.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -125.13 129.59 50.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 22.5 pt -116.65 170.23 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 t -107.65 177.06 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -52.35 -77.11 0.15 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -39.13 -35.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 20' ' ' TYR . 40.8 mt-30 -73.33 -39.16 65.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.521 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 1.7 t80 -34.2 -51.36 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.463 HG13 ' CB ' ' A' ' 25' ' ' THR . 94.0 t -70.39 -67.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -43.7 -22.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 21' ' ' VAL . 5.8 mm-40 -99.99 -75.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.6 t -57.79 -57.51 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.463 ' CB ' HG13 ' A' ' 21' ' ' VAL . 37.8 m -59.94 -67.32 0.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -81.13 37.6 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.475 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -66.34 156.78 33.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 35.2 tp10 -46.15 157.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 18.2 tptp -59.7 138.06 57.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 44.04 38.84 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.5 tp -110.12 115.85 30.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.524 ' CE2' ' HE2' ' A' ' 88' ' ' LYS . 61.9 m95 -73.0 125.31 27.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.475 HG22 ' CB ' ' A' ' 27' ' ' ALA . 98.9 t -123.81 107.52 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.4 t -98.68 105.07 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.4 tt -101.21 144.41 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -130.7 94.37 3.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.66 103.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -99.63 129.21 45.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -99.32 15.16 27.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m 39.97 25.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 39' ' ' ARG . 38.3 m -132.3 -29.26 1.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 t -79.34 134.22 59.03 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.649 0.737 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -19.99 35.18 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.25 . . . . 0.0 112.303 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -57.21 3.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.9 p -44.34 -40.53 5.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.9 mt -51.67 -46.22 63.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.966 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.5 t -69.16 -41.48 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.119 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 45.2 t -56.45 -45.61 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.88 -44.7 82.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -48.8 -46.05 41.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.461 ' ND1' HD13 ' A' ' 109' ' ' LEU . 12.3 m-70 -70.29 -48.99 54.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.644 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.5 mt -45.05 -37.81 4.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.1 t -54.12 -57.18 12.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 55' ' ' LEU . 10.5 p -71.24 -34.54 54.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' N ' HG12 ' A' ' 54' ' ' VAL . 37.5 mt -62.58 -18.99 63.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.48 -43.56 31.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -80.05 -39.16 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -62.11 -48.83 78.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.51 ' CD1' ' HB ' ' A' ' 122' ' ' ILE . 55.9 m-85 -117.76 88.78 31.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.659 0.742 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -32.78 17.69 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -52.38 -41.48 63.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.4 m -81.21 126.03 31.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -86.52 107.35 18.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -95.95 139.97 31.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.3 m -151.34 128.29 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -105.58 120.2 41.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.86 165.94 21.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.6 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 8.8 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.539 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 3.9 mt -85.7 148.72 49.52 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.59 0.709 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.76 164.97 77.86 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.36 -0.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.572 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 41.5 m -135.6 129.34 32.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.4 mt -140.56 132.39 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.572 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 73.3 m-85 -134.5 127.51 31.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.2 t -99.6 122.78 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 37.6 m-85 -120.65 130.08 53.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.524 ' HE2' ' CE2' ' A' ' 32' ' ' TRP . 15.2 ttmt -107.5 -64.07 1.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -123.69 39.59 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.52 21.64 33.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.602 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 13.0 pt20 -126.59 -178.54 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.922 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 75.3 mt -107.8 86.14 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -58.36 -34.49 70.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -171.95 134.03 2.9 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -119.03 146.62 44.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 4.1 m-85 -134.89 101.16 4.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.456 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 5.3 mp -120.38 115.65 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 117.42 128.2 4.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.517 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 98' ' ' GLY . 91.3 mt -37.34 -58.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 111.098 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.4 mp -58.63 -51.76 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 9.6 mt-10 -46.71 -36.41 7.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 10.4 t -94.21 30.01 2.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.466 ' N ' ' HE3' ' A' ' 115' ' ' LYS . . . 90.68 -44.3 2.89 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 112.23 175.85 19.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.459 HD11 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -59.65 -13.07 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 111.154 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.459 ' N ' HD11 ' A' ' 105' ' ' ILE . 72.2 m-20 -92.49 -11.84 33.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 106' ' ' ASN . 61.2 tp -35.31 109.27 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -80.31 160.68 25.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.461 HD13 ' ND1' ' A' ' 51' ' ' HIS . 44.8 tp -54.28 -40.57 67.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -79.75 -39.47 30.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -48.95 -56.49 8.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 70.2 tp -58.24 -44.15 88.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -42.44 -38.87 2.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.49 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.6 t90 -70.08 -54.22 14.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.466 ' HE3' ' N ' ' A' ' 103' ' ' GLY . 16.9 mttm -40.35 -45.14 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.8 mt -72.75 -29.43 63.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 114' ' ' TRP . 8.6 t -74.57 -60.32 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -40.94 -29.94 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 92.7 t -76.4 -40.39 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.457 ' HA3' ' CH2' ' A' ' 32' ' ' TRP . . . 123.81 6.15 7.28 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.52 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -76.77 -48.49 18.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.51 ' HB ' ' CD1' ' A' ' 59' ' ' PHE . 10.4 pt -131.32 -177.84 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.161 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.607 ' N ' ' NE2' ' A' ' 123' ' ' GLN . 1.7 mp0 -119.38 97.68 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.3 p -82.38 142.16 32.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.808 0.337 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -107.45 -176.4 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.47 43.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.441 ' CA ' ' HB2' ' A' ' 56' ' ' ALA . 13.9 pt-20 -174.39 176.69 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.3 tp -110.99 118.09 35.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -109.36 173.55 6.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -126.23 143.55 51.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.0 pt -135.27 171.98 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -104.99 167.39 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -48.27 -60.15 5.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.52 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -50.61 -35.45 30.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -75.92 -33.74 59.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -38.5 -51.58 1.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 23' ' ' GLU . 66.0 t -69.63 -71.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -41.63 -23.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' VAL . 17.9 mm-40 -94.65 -73.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 19.9 t -66.65 -71.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.434 ' HB ' ' CG1' ' A' ' 21' ' ' VAL . 31.9 m -41.13 -64.56 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -81.67 35.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 24' ' ' VAL . . . -74.86 174.7 8.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.454 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -53.27 176.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.486 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 22.5 ttpt -84.84 -69.63 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -85.96 43.49 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 6.1 tp -121.9 149.92 42.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.533 ' CZ2' ' HG3' ' A' ' 88' ' ' LYS . 73.4 m95 -113.07 107.33 15.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.9 t -102.44 115.75 44.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.7 t -111.24 109.57 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.4 tt -100.5 152.64 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -141.38 108.87 5.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mt -71.78 91.36 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -95.22 151.66 19.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 9.6 mtp-105 -148.82 128.12 12.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.2 t -49.33 -24.98 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 t -70.4 -34.28 72.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.9 t -90.75 116.25 65.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 111.158 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -18.62 36.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.404 ' HE2' ' C ' ' A' ' 104' ' ' GLY . 0.0 OUTLIER -72.23 -49.76 32.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.2 p -48.94 -29.43 4.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.0 mt -53.66 -63.55 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 48' ' ' VAL . 7.2 p -59.05 -33.83 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.438 ' N ' HG12 ' A' ' 47' ' ' VAL . 59.1 t -67.58 -37.25 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -69.46 -36.3 76.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -59.18 -40.35 85.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.461 ' HA ' ' CD1' ' A' ' 109' ' ' LEU . 5.1 m-70 -69.17 -49.48 56.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.579 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.8 mt -51.81 -32.65 32.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.5 t -60.24 -53.96 51.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.467 HG11 ' N ' ' A' ' 55' ' ' LEU . 11.9 p -75.28 -27.94 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' N ' HG11 ' A' ' 54' ' ' VAL . 63.3 mt -67.76 -19.35 65.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.441 ' HB2' ' CA ' ' A' ' 11' ' ' GLU . . . -72.4 -42.76 64.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.093 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 7.8 ptm180 -78.55 -36.04 45.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 31.1 tttp -63.77 -47.94 78.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -118.28 87.17 29.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 -28.76 24.48 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.691 2.261 . . . . 0.0 112.301 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -61.2 -48.41 81.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.4 m -78.15 126.54 30.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -74.06 140.37 45.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -130.4 118.23 20.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.6 m -144.54 163.28 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 pmtp? -145.1 155.1 43.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.04 132.27 16.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.054 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 10.5 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.902 0.382 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.531 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 79.0 mt -67.67 148.7 98.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.623 0.725 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.7 143.33 73.45 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 -1.784 . . . . 0.0 112.364 -0.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 84' ' ' ILE . 86.2 m -120.9 144.99 48.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.417 ' N ' HG23 ' A' ' 83' ' ' THR . 87.6 mt -146.09 134.64 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 95' ' ' LYS . 40.3 m-85 -136.45 141.0 43.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.4 t -115.09 132.43 64.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -125.1 130.79 52.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.533 ' HG3' ' CZ2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -111.58 -61.87 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 29' ' ' LYS . 17.6 m120 -119.82 38.58 3.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.76 2.56 75.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 92' ' ' ILE . 1.5 tp-100 -118.6 152.21 36.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.746 0.308 . . . . 0.0 110.928 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.507 ' N ' ' OE1' ' A' ' 91' ' ' GLN . 93.7 mt -75.01 106.74 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.524 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 36.6 mm-40 -78.33 -34.65 48.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.21 133.47 2.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.503 ' HB3' ' CE2' ' A' ' 85' ' ' PHE . 45.4 pttt -122.65 152.26 40.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.358 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.403 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 11.4 m-85 -138.52 111.37 7.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.451 HD13 ' N ' ' A' ' 97' ' ' ILE . 5.1 mp -123.09 128.87 75.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.09 149.82 19.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.456 HD13 ' CD ' ' A' ' 82' ' ' PRO . 22.2 mm -52.54 -66.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 103' ' ' GLY . 22.6 mt -49.93 -55.72 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -46.85 -32.11 3.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 32.6 t -94.61 29.22 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 100' ' ' ILE . . . 88.57 -41.98 3.06 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.404 ' C ' ' HE2' ' A' ' 44' ' ' MET . . . 108.24 166.34 21.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.556 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.462 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -55.16 -18.62 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.794 0.33 . . . . 0.0 111.115 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.462 ' N ' HD12 ' A' ' 105' ' ' ILE . 23.1 m-20 -101.14 24.1 9.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.463 HD11 ' N ' ' A' ' 112' ' ' LEU . 3.7 tp -72.28 121.86 20.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -83.75 171.18 13.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' A' ' 51' ' ' HIS . 11.6 tp -65.0 -34.98 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.26 -45.27 20.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -44.99 -53.23 7.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.463 ' N ' HD11 ' A' ' 107' ' ' LEU . 55.6 tp -63.16 -44.2 96.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -44.17 -42.53 6.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.429 ' O ' ' N ' ' A' ' 117' ' ' SER . 20.0 t90 -61.19 -54.41 44.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.403 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 14.8 mttm -40.31 -51.04 2.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.18 -33.29 75.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 120' ' ' GLY . 10.7 t -72.77 -63.17 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -39.89 -32.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.2 t -74.43 -39.33 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 121.83 6.7 8.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.525 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -75.34 -42.72 53.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 111.119 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 32.9 pt -136.52 -179.55 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -115.51 104.21 11.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.1 p -106.99 156.28 18.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.893 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.6 mttp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -112.16 -70.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.85 43.43 7.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -174.99 143.81 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.2 tp -80.0 121.71 25.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 mtt-85 -110.56 -176.56 3.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -142.4 115.8 9.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.0 pt -109.02 166.62 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 m -97.74 164.59 12.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.69 -30.79 66.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -66.2 -40.7 90.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -89.89 -1.64 58.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.443 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 4.9 t80 -55.39 -54.54 42.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.462 HG13 ' CB ' ' A' ' 25' ' ' THR . 99.6 t -65.72 -59.72 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.183 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -47.19 -22.05 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -100.9 -75.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.472 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 76.4 t -60.17 -72.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.462 ' CB ' HG13 ' A' ' 21' ' ' VAL . 87.0 m -39.47 -67.78 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -83.44 33.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 24' ' ' VAL . . . -65.12 151.15 46.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.109 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.462 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 9.3 tp10 -41.86 159.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 44.4 tttt -63.47 -75.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.63 48.87 0.97 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.462 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 6.6 tp -130.15 136.92 49.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.551 ' CZ2' ' HE3' ' A' ' 88' ' ' LYS . 84.8 m95 -103.58 107.94 19.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.0 t -102.57 104.66 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 96.9 t -103.84 102.04 13.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.415 HD12 ' CE2' ' A' ' 20' ' ' TYR . 15.4 tt -94.0 152.71 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -140.11 112.25 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 mt -79.64 86.38 5.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -79.55 150.51 31.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.965 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -146.08 121.29 10.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.8 p -49.53 -21.42 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 t -78.67 9.92 3.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.0 t -133.07 121.59 16.88 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.566 0.698 . . . . 0.0 111.084 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -30.49 22.28 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.496 ' SD ' ' CG1' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -64.67 -51.16 63.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 96.8 m -42.58 -35.92 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.5 mt -49.61 -64.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.496 ' CG1' ' SD ' ' A' ' 44' ' ' MET . 6.8 p -59.21 -36.26 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.461 ' N ' HG13 ' A' ' 47' ' ' VAL . 46.5 t -57.55 -46.61 86.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -62.77 -43.83 97.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -53.56 -52.04 60.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.526 ' CE1' ' HB2' ' A' ' 109' ' ' LEU . 22.7 m-70 -61.41 -45.31 94.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.623 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.5 mt -47.75 -41.16 22.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.6 t -54.68 -57.65 10.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.3 t -61.68 -42.55 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.6 mt -64.73 -18.41 65.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.43 -34.23 41.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.413 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 1.8 ptm85 -91.64 -17.16 25.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -82.93 -45.96 13.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -117.91 88.4 30.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.715 0.769 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -24.7 29.41 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -60.5 -28.55 68.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.546 HG22 ' CE1' ' A' ' 64' ' ' PHE . 98.9 m -92.72 130.51 38.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -90.55 101.31 14.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.546 ' CE1' HG22 ' A' ' 62' ' ' THR . 55.0 m-85 -93.45 134.28 35.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.9 m -146.73 129.89 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -98.83 128.84 45.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.69 122.2 14.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 34.0 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.5 m . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.536 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 4.9 mt -80.55 148.77 66.83 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.597 0.713 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.75 159.9 88.88 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.364 -0.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 54.5 m -136.39 118.5 15.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.0 mt -124.52 136.08 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -129.75 135.24 48.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.4 t -111.25 118.25 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -114.2 126.15 54.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.551 ' HE3' ' CZ2' ' A' ' 32' ' ' TRP . 0.8 OUTLIER -102.01 -67.61 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.935 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 10.1 m-80 -119.31 30.71 6.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 99.92 16.93 26.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -130.14 151.86 50.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.1 mt -75.65 88.63 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.61 -32.99 74.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -163.99 138.06 5.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -132.18 145.05 51.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.527 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 54.1 m-85 -134.46 103.0 5.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.411 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 4.8 mp -118.61 117.53 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 120.5 143.44 6.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.401 ' CD1' ' HB2' ' A' ' 44' ' ' MET . 42.7 mm -49.6 -51.96 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.784 0.326 . . . . 0.0 111.126 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.3 mt -69.33 -40.79 80.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 14.5 mt-10 -58.43 -31.43 67.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 2.5 t -90.0 1.62 56.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.32 -35.09 4.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.08 155.89 18.68 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.477 ' CD1' ' N ' ' A' ' 106' ' ' ASN . 2.5 pp -49.25 -23.95 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.882 0.373 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.477 ' N ' ' CD1' ' A' ' 105' ' ' ILE . 3.7 p30 -97.11 25.41 5.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.411 ' CD2' ' HB2' ' A' ' 112' ' ' LEU . 57.5 tp -70.82 123.05 21.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -81.18 176.55 9.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.526 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 5.5 tp -76.6 -28.2 56.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -81.97 -49.58 10.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -49.52 -52.62 28.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.411 ' HB2' ' CD2' ' A' ' 107' ' ' LEU . 41.2 tp -58.07 -40.12 80.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -51.15 -39.87 57.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.3 t90 -60.12 -56.41 21.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.527 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 29.9 mttp -39.73 -47.85 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.9 mt -67.5 -31.19 71.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 114' ' ' TRP . 5.4 t -76.16 -62.28 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -40.79 -30.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.6 t -80.36 -36.91 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.175 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 124.26 -4.89 8.87 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.501 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.45 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -61.5 -35.62 78.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 111.111 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 38.3 pt -146.42 176.64 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.546 ' NE2' ' H ' ' A' ' 123' ' ' GLN . 1.8 pm0 -119.26 91.5 3.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.8 p -96.22 175.01 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.404 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.826 0.346 . . . . 0.0 110.949 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -95.96 -175.22 3.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.15 32.23 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -171.09 149.29 2.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.1 tp -74.76 124.81 27.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.96 -176.72 3.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -144.42 135.05 24.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.8 pt -134.74 168.69 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 m -103.21 -175.63 2.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.33 -67.9 1.91 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -47.12 -27.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -81.88 -37.84 26.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.537 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 1.5 t80 -38.63 -48.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 23' ' ' GLU . 83.6 t -68.56 -71.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -39.31 -25.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.489 ' O ' ' CA ' ' A' ' 27' ' ' ALA . 8.5 mm-40 -99.22 -75.03 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' TYR . 32.0 t -55.95 -50.44 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.421 ' CB ' HG13 ' A' ' 21' ' ' VAL . 85.2 m -68.55 -62.61 1.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -84.25 29.5 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.489 ' CA ' ' O ' ' A' ' 23' ' ' GLU . . . -57.51 172.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -62.63 162.37 10.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 30' ' ' ASP . 22.9 ttpt -63.9 144.39 57.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.422 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 0.9 OUTLIER 37.67 42.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 tp -113.08 127.13 56.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.56 ' CE3' ' HA ' ' A' ' 121' ' ' ALA . 88.7 m95 -80.08 120.36 24.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.6 t -119.56 107.69 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.4 t -107.4 105.78 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.411 HD11 ' CD2' ' A' ' 20' ' ' TYR . 13.9 tt -98.62 149.29 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 38' ' ' TYR . 5.1 t-80 -133.79 116.62 15.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.45 HD13 ' CG2' ' A' ' 83' ' ' THR . 10.4 mt -80.52 91.26 5.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.479 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 5.9 p90 -90.48 147.1 23.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.45 ' HG3' ' CD1' ' A' ' 81' ' ' LEU . 5.6 mmt85 -138.38 129.18 26.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 t -58.55 -15.82 12.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.0 t -84.81 -27.41 26.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.1 t -91.71 119.72 68.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -19.92 35.55 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.748 2.299 . . . . 0.0 112.298 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -53.78 12.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 9.1 p -44.55 -26.12 0.33 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.4 mt -58.79 -62.42 1.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.4 p -59.69 -28.75 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.0 t -69.79 -37.61 73.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -67.6 -34.49 77.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -60.2 -50.28 74.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -68.58 -50.99 47.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.614 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.0 mt -43.95 -39.81 4.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -61.51 -44.37 97.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 81.7 t -72.33 -38.43 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.9 mt -64.11 -25.0 67.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.69 -46.5 65.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -77.17 -24.11 51.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -76.72 -46.7 24.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.565 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 65.0 m-85 -114.47 86.63 12.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.678 0.751 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -19.88 35.84 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -67.64 -35.86 79.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 90.9 m -89.73 131.91 35.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.09 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -90.61 107.92 19.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -94.32 136.65 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.8 m -144.54 140.68 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -117.87 121.55 41.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.83 132.88 35.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.526 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 58.8 mt -98.29 154.54 37.59 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.591 0.71 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.75 172.37 49.27 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.625 -1.823 . . . . 0.0 112.374 -0.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.657 ' CG2' ' CZ ' ' A' ' 85' ' ' PHE . 52.8 m -148.41 125.76 11.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.6 mt -124.68 141.47 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.657 ' CZ ' ' CG2' ' A' ' 83' ' ' THR . 26.9 m-85 -139.58 127.17 21.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.4 t -105.75 129.9 58.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -120.82 130.71 54.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.554 ' HE2' ' CZ2' ' A' ' 32' ' ' TRP . 7.8 tppt? -100.42 -64.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -128.44 27.81 5.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 110.89 14.48 12.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -132.25 149.45 52.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 110.957 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 69.4 mt -75.58 91.83 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -64.78 -32.11 73.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.64 138.76 5.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.537 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.464 ' C ' ' CD1' ' A' ' 96' ' ' PHE . 43.3 pttt -129.76 155.76 45.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.8 m-85 -143.78 108.69 4.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.433 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 5.4 mp -120.7 124.83 73.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.2 145.66 9.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.8 mm -51.09 -57.15 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.317 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.6 mt -61.27 -50.23 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 11.6 mt-10 -50.77 -31.4 16.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 10.5 m -97.19 28.67 3.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 93.7 -44.87 2.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.92 162.52 23.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.483 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.433 HD13 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -51.19 -23.41 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.809 0.338 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.433 ' N ' HD13 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -100.1 25.14 7.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 37.9 tp -68.88 128.34 36.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -82.29 178.03 8.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.5 tp -83.41 -29.33 28.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -84.32 -35.09 23.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -57.97 -59.64 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.2 tp -55.96 -34.95 66.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -56.34 -25.64 49.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.489 ' O ' ' N ' ' A' ' 117' ' ' SER . 17.1 t90 -82.05 -50.57 8.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -39.53 -50.19 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 15.3 mt -66.93 -29.87 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 114' ' ' TRP . 2.0 t -72.92 -58.77 3.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -43.54 -28.56 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.7 t -83.44 -33.34 9.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.464 ' O ' ' CZ2' ' A' ' 32' ' ' TRP . . . 118.39 1.67 15.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.56 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -69.39 -33.08 72.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.714 0.293 . . . . 0.0 111.043 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.565 ' HB ' ' CE2' ' A' ' 59' ' ' PHE . 43.4 pt -146.19 -177.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.409 ' NE2' ' C ' ' A' ' 122' ' ' ILE . 6.0 mp0 -127.1 96.8 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.4 t -90.47 171.12 9.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.868 0.366 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -129.25 -178.99 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.24 42.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -174.19 133.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.2 tp -68.49 115.0 7.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -107.92 176.35 5.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -132.45 128.79 38.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.7 pt -117.02 169.01 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.2 t -97.25 178.87 5.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -62.68 -72.04 0.72 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.432 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -42.27 -30.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' TYR . 79.6 mm-40 -74.51 -38.37 62.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.968 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.533 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 1.6 t80 -37.44 -46.34 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.41 ' C ' ' N ' ' A' ' 23' ' ' GLU . 94.7 t -68.68 -72.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -45.99 -20.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 21' ' ' VAL . 51.3 mm-40 -96.45 -75.16 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.2 t -59.89 -60.45 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.157 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.7 m -53.71 -59.22 4.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -83.13 31.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.76 161.01 30.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 4.7 tp10 -54.2 154.27 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -64.9 -66.11 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -82.82 48.72 1.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.459 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 4.7 tp -132.17 140.62 48.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.548 ' CE2' ' O ' ' A' ' 120' ' ' GLY . 96.2 m95 -103.03 100.98 10.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.453 ' CG2' HD22 ' A' ' 31' ' ' LEU . 67.8 t -96.09 105.19 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.5 t -104.04 108.49 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.413 HD13 ' CD2' ' A' ' 20' ' ' TYR . 8.5 tt -102.65 143.76 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.496 ' CE1' ' CG1' ' A' ' 48' ' ' VAL . 12.2 t-80 -131.96 104.31 6.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.2 mt -63.7 99.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.594 ' CZ ' ' CG1' ' A' ' 68' ' ' ILE . 24.9 p90 -87.91 154.39 20.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 42' ' ' VAL . 16.9 ttt85 -150.31 109.7 3.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.847 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.7 p -40.89 -27.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -87.81 30.78 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' ARG . 34.8 t -136.93 114.11 9.96 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.661 0.743 . . . . 0.0 111.096 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.469 ' HA ' ' CD1' ' A' ' 46' ' ' LEU . 54.6 Cg_endo -69.74 -27.01 27.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 0.0 112.396 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.468 ' O ' ' N ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -65.47 -70.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 44' ' ' MET . 40.4 t -32.22 -38.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 43' ' ' PRO . 95.2 mt -40.56 -59.32 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 p -67.23 -30.97 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.496 ' CG1' ' CE1' ' A' ' 36' ' ' HIS . 77.1 t -61.6 -45.27 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.427 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 4.3 t-20 -61.39 -36.9 81.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -55.15 -39.64 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.433 ' CG ' ' HA ' ' A' ' 109' ' ' LEU . 9.5 m-70 -79.93 -50.74 10.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.597 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.4 mt -47.82 -30.69 4.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.4 t -61.19 -58.03 10.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 55' ' ' LEU . 9.1 p -73.07 -26.87 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' N ' HG12 ' A' ' 54' ' ' VAL . 15.5 mt -68.26 -19.4 64.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.52 -40.49 35.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -83.17 -32.14 26.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.3 tttt -67.57 -47.32 70.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -118.6 90.67 40.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.597 0.713 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.85 29.23 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -56.24 -41.56 75.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.1 m -84.19 132.64 34.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.4 tttt -95.07 89.28 5.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -76.42 133.44 39.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.3 m -145.4 134.07 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.6 pttt -107.7 123.9 49.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.31 134.88 34.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.076 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.594 ' CG1' ' CZ ' ' A' ' 38' ' ' TYR . 16.7 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.86 0.362 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.535 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 5.6 mt -59.98 150.91 67.59 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.573 0.701 . . . . 0.0 110.937 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.82 170.91 56.42 Favored 'Cis proline' 0 C--O 1.231 0.175 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.365 -0.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.541 HG21 ' CE2' ' A' ' 85' ' ' PHE . 52.0 m -146.04 125.82 13.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.9 mt -126.0 144.48 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.541 ' CE2' HG21 ' A' ' 83' ' ' THR . 41.3 m-85 -142.16 128.85 20.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.3 t -106.07 128.3 60.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 21.0 m-85 -122.8 132.95 54.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -130.67 -38.58 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -132.44 44.79 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 73.2 16.95 78.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.519 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.434 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 20.9 mm-40 -129.68 -174.6 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.918 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.9 mt -105.68 86.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.23 -34.62 61.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.71 129.97 2.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.453 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.6 pttt -120.38 145.14 47.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.6 m-85 -135.17 108.23 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 5.0 mp -122.11 128.63 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.72 137.23 8.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 76.3 mt -46.38 -52.3 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 0.0 111.1 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.5 mt -59.13 -53.09 52.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 97' ' ' ILE . 16.4 mt-10 -50.13 -35.88 27.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.1 m -90.97 27.38 1.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.21 -49.57 2.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 117.55 171.6 15.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.463 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -57.9 -15.76 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.463 ' N ' HD12 ' A' ' 105' ' ' ILE . 4.1 p30 -105.43 16.94 24.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.4 tp -57.66 130.25 45.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 163.14 13.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.433 ' HA ' ' CG ' ' A' ' 51' ' ' HIS . 26.0 tp -60.26 -38.96 85.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -74.22 -47.45 35.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -45.0 -55.88 5.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.02 -40.5 93.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -49.58 -40.79 39.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.491 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.5 t90 -69.12 -53.05 22.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -38.67 -50.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.09 -30.33 69.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 114' ' ' TRP . 9.6 t -72.03 -61.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -39.9 -34.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 69.1 t -75.15 -38.58 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.548 ' O ' ' CE2' ' A' ' 32' ' ' TRP . . . 121.28 4.85 9.82 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.476 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.496 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -70.72 -47.5 59.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.734 0.302 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 9.2 pt -130.14 -175.09 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -120.25 94.01 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.412 ' HB2' ' CB ' ' A' ' 117' ' ' SER . 1.8 m -79.62 174.97 11.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 179.922 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.821 0.343 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -120.6 -174.82 2.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.66 44.26 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -174.51 141.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.2 tp -75.76 108.06 8.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -96.32 173.84 7.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -130.16 121.21 25.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.429 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 46.0 pt -110.9 168.36 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.1 m -100.07 174.11 6.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.08 -70.83 0.82 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.444 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -45.49 -27.19 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -80.57 -35.74 33.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.545 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 1.4 t80 -41.9 -48.88 4.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLU . 86.9 t -68.04 -70.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -41.22 -24.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.497 ' O ' ' CA ' ' A' ' 27' ' ' ALA . 6.2 mm-40 -97.83 -75.13 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' TYR . 77.8 t -57.46 -53.46 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.4 m -64.43 -63.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -84.57 30.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.497 ' CA ' ' O ' ' A' ' 23' ' ' GLU . . . -58.21 171.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.164 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 15.5 tp10 -59.33 153.29 19.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 21.0 tptm -60.92 130.67 47.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 55.63 41.9 30.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.7 tp -112.08 140.24 46.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.449 ' CE2' ' O ' ' A' ' 120' ' ' GLY . 92.5 m95 -95.3 106.24 18.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.409 HG21 ' CB ' ' A' ' 27' ' ' ALA . 58.8 t -107.84 115.04 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -111.49 112.54 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.4 tt -107.18 142.79 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 38' ' ' TYR . 2.6 t-160 -123.56 92.23 3.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.62 74.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.563 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 20.1 p90 -72.41 166.2 23.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' A' ' 42' ' ' VAL . 13.4 tpp180 -144.73 106.87 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' ARG . 16.5 m -36.38 -32.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' ARG . 6.1 m -84.04 31.76 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' ARG . 98.3 t -134.82 127.56 18.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.656 0.741 . . . . 0.0 111.104 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -44.83 1.84 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.636 2.224 . . . . 0.0 112.355 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.5 ' SD ' ' CG2' ' A' ' 48' ' ' VAL . 0.2 OUTLIER -61.92 -60.29 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.453 ' C ' ' O ' ' A' ' 44' ' ' MET . 1.4 p -33.46 -37.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' MET . 89.7 mt -48.99 -62.99 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 p -60.25 -30.96 47.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.5 ' CG2' ' SD ' ' A' ' 44' ' ' MET . 58.2 t -63.6 -35.25 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -75.33 -37.42 60.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -55.43 -49.66 71.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.413 ' CG ' HD11 ' A' ' 109' ' ' LEU . 5.8 m-70 -64.32 -51.84 61.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.591 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.6 mt -40.41 -40.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.5 t -56.31 -46.66 79.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.8 t -75.65 -40.71 40.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.4 mt -64.29 -25.49 68.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.52 -39.79 85.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -84.63 -36.47 21.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -62.59 -45.92 90.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -114.57 87.75 14.81 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.65 0.738 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -28.41 25.51 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.729 2.286 . . . . 0.0 112.363 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -61.49 -58.67 7.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.7 m -65.99 122.79 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -79.61 118.51 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -109.16 128.98 55.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.3 m -140.29 139.88 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -116.49 127.79 54.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.85 129.68 24.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.2 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.404 ' C ' ' HG ' ' A' ' 81' ' ' LEU . 2.9 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.855 0.36 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 18.8 mt -152.82 151.23 26.15 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.566 0.698 . . . . 0.0 110.954 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.73 169.0 65.35 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.358 -0.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.533 HG21 ' CE2' ' A' ' 85' ' ' PHE . 55.3 m -133.22 131.14 39.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.469 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 2.3 mm -126.02 147.24 30.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.533 ' CE2' HG21 ' A' ' 83' ' ' THR . 32.3 m-85 -146.67 119.4 8.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.87 135.13 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -125.33 134.17 52.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.425 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . 22.4 tptp -117.73 -50.87 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -130.3 44.68 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.16 28.75 55.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -141.2 -175.38 4.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.764 0.316 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 88.1 mt -103.16 91.83 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.414 ' HG3' ' CB ' ' A' ' 88' ' ' LYS . 20.5 mm-40 -69.01 -29.02 67.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -173.02 139.6 5.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -133.89 149.81 51.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 115' ' ' LYS . 58.1 m-85 -134.18 90.33 2.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.0 mp -100.36 108.67 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 111.6 134.95 6.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.543 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.523 ' CG2' ' N ' ' A' ' 105' ' ' ILE . 4.4 mp -35.27 -58.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.326 . . . . 0.0 111.114 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.2 mt -45.48 -52.79 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -58.28 -37.29 74.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.422 ' C ' ' HE3' ' A' ' 115' ' ' LYS . 1.8 m -74.97 -16.13 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 128.69 -34.36 2.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 107' ' ' LEU . . . 128.2 144.91 5.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.574 ' CD1' ' CG ' ' A' ' 106' ' ' ASN . 2.4 pp -40.65 -33.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 111.157 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.574 ' CG ' ' CD1' ' A' ' 105' ' ' ILE . 25.3 m120 -92.62 31.83 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 104' ' ' GLY . 5.4 tp -67.27 130.21 42.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -92.32 179.99 5.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.413 HD11 ' CG ' ' A' ' 51' ' ' HIS . 6.5 tp -73.8 -29.77 62.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -81.34 -46.04 15.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -50.88 -42.39 59.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.0 tp -71.23 -38.1 71.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -52.07 -28.64 18.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.493 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.8 t90 -74.86 -58.59 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 15.3 mttm -40.25 -44.73 1.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 15.6 mt -70.21 -31.71 69.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 120' ' ' GLY . 3.7 t -76.74 -61.96 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -39.84 -33.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 73.3 t -75.03 -37.75 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 124.06 -0.59 9.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.48 -46.46 72.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 111.077 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 25.4 pt -135.81 -175.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -127.59 92.14 3.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.6 p -93.76 158.63 15.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.762 0.315 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.543 ' CE2' ' HD2' ' A' ' 63' ' ' LYS . 4.0 m-85 -107.26 -175.93 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -176.02 37.78 0.1 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -175.0 154.08 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.5 tp -74.08 129.74 38.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -119.83 163.8 16.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -124.31 128.96 49.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 pt -114.49 173.78 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -98.43 178.89 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -62.59 -74.18 0.44 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -39.91 -35.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.802 0.334 . . . . 0.0 110.907 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 20' ' ' TYR . 21.7 mm100 -69.12 -38.97 79.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' GLY . 6.7 t80 -34.0 -52.55 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 23' ' ' GLU . 98.4 t -67.27 -70.06 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -43.65 -21.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' VAL . 5.3 mm-40 -100.14 -76.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 20' ' ' TYR . 98.6 t -57.4 -55.37 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.5 m -62.16 -67.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -80.62 37.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.9 168.29 15.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.053 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -51.78 -174.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.27 -62.27 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -91.08 41.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 32' ' ' TRP . 14.6 tp -125.83 155.08 41.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.539 ' CE2' ' O ' ' A' ' 120' ' ' GLY . 92.2 m95 -121.8 106.16 11.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.3 t -98.35 98.83 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.196 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.8 t -97.39 98.7 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.7 tt -88.44 156.89 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -137.87 124.65 21.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.455 HD12 ' CG2' ' A' ' 83' ' ' THR . 36.7 mt -94.34 130.48 40.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -135.46 139.52 44.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.443 ' CD ' ' HB3' ' A' ' 41' ' ' SER . 3.3 ptp180 -106.94 20.46 19.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 m 44.32 24.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.443 ' HB3' ' CD ' ' A' ' 39' ' ' ARG . 4.0 t -131.17 -32.29 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.426 ' CG1' ' HD2' ' A' ' 43' ' ' PRO . 9.6 t -86.06 135.28 37.47 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.716 . . . . 0.0 111.149 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 53.7 Cg_endo -69.81 -43.78 2.42 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.254 . . . . 0.0 112.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.45 ' O ' ' CG1' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -49.96 -49.47 50.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 46' ' ' LEU . 2.3 p -60.93 -43.77 98.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.467 ' N ' ' SG ' ' A' ' 45' ' ' CYS . 36.1 mt -50.68 -55.45 16.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 44' ' ' MET . 3.3 p -61.92 -39.24 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.5 t -52.1 -44.58 40.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -65.36 -40.77 94.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -46.77 -45.26 19.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.437 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 11.6 m-70 -73.94 -48.34 31.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 40.3 mt -41.86 -34.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.6 t -58.25 -58.36 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.486 HG12 ' N ' ' A' ' 55' ' ' LEU . 13.2 p -70.92 -28.79 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.486 ' N ' HG12 ' A' ' 54' ' ' VAL . 36.3 mt -72.38 -15.29 61.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.64 -43.92 21.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -77.87 -35.64 50.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -66.65 -44.29 82.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.416 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 29.8 m-85 -115.47 93.42 36.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.1 Cg_endo -69.83 -35.51 12.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.312 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -54.9 -53.97 48.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.5 m -69.5 126.11 28.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.543 ' HD2' ' CE2' ' A' ' 9' ' ' PHE . 22.1 tttp -92.67 101.84 14.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -89.16 124.16 34.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.7 m -137.74 139.84 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.46 140.92 44.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.99 140.36 19.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.866 0.365 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.543 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 76.6 mt -84.56 148.4 51.93 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.603 0.716 . . . . 0.0 110.921 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.77 165.32 76.98 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.637 -1.818 . . . . 0.0 112.364 -0.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.455 ' CG2' HD12 ' A' ' 37' ' ' LEU . 86.8 m -138.78 118.33 12.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 60.6 mt -129.66 118.0 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -115.3 136.51 53.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.8 t -112.92 128.96 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -120.09 136.19 54.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.511 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 21.5 tptp -114.2 -62.98 1.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.417 ' CG ' ' HG3' ' A' ' 88' ' ' LYS . 0.5 OUTLIER -119.84 43.66 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.2 -0.24 87.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 92' ' ' ILE . 2.2 tt0 -120.98 153.91 36.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.32 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.457 ' N ' ' HG3' ' A' ' 91' ' ' GLN . 92.1 mt -73.68 113.33 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -89.28 -33.84 16.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.18 118.29 0.8 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -114.42 158.52 21.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -141.91 106.81 4.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.426 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 5.4 mp -120.04 113.25 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.08 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.55 139.46 8.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.474 ' CG2' ' HA2' ' A' ' 104' ' ' GLY . 2.5 mp -39.68 -59.3 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.2 mp -51.14 -57.43 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 97' ' ' ILE . 14.9 mt-10 -50.93 -31.68 18.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.425 ' C ' ' HE3' ' A' ' 115' ' ' LYS . 1.8 m -82.68 -19.48 38.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 126.79 -33.29 3.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.52 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.474 ' HA2' ' CG2' ' A' ' 99' ' ' ILE . . . 135.71 142.27 4.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.456 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.6 pp -45.06 -24.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 111.098 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.456 ' N ' HD12 ' A' ' 105' ' ' ILE . 24.3 m-20 -99.03 29.01 4.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 104' ' ' GLY . 57.2 tp -57.11 117.85 4.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -74.45 162.99 28.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 51' ' ' HIS . 26.7 tp -58.94 -40.37 84.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -76.63 -43.96 36.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -44.64 -53.27 7.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.469 ' HB2' ' CD2' ' A' ' 107' ' ' LEU . 61.0 tp -62.77 -43.59 98.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -43.46 -37.38 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.497 ' O ' ' N ' ' A' ' 117' ' ' SER . 24.0 t90 -69.06 -56.72 6.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.425 ' HE3' ' C ' ' A' ' 102' ' ' CYS . 13.4 mttm -39.67 -47.83 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.1 mt -68.16 -30.83 70.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 120' ' ' GLY . 4.0 t -75.53 -61.06 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -39.61 -31.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 98.1 t -76.94 -38.28 28.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.539 ' O ' ' CE2' ' A' ' 32' ' ' TRP . . . 121.42 10.24 6.71 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.519 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -79.47 -45.45 19.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.416 ' HB ' ' CE2' ' A' ' 59' ' ' PHE . 33.8 pt -132.15 -177.42 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.59 89.25 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.2 p -80.31 175.32 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.935 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -121.68 -68.63 0.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.55 41.8 8.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -175.01 154.93 1.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.6 tp -88.15 121.32 30.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -106.07 170.53 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -128.12 133.14 48.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.7 pt -127.53 174.13 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -106.98 -179.15 3.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.4 -43.74 96.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -63.24 -36.52 83.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' TYR . 32.1 mt-30 -77.24 -36.46 54.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.527 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 1.6 t80 -35.56 -50.71 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.404 ' C ' ' N ' ' A' ' 23' ' ' GLU . 57.3 t -69.65 -64.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -49.13 -17.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.437 ' O ' ' CA ' ' A' ' 27' ' ' ALA . 7.1 mm-40 -105.06 -75.43 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 87' ' ' TYR . 46.4 t -55.8 -58.52 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.5 m -60.89 -69.61 0.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -80.38 38.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.474 ' CB ' HG23 ' A' ' 33' ' ' VAL . . . -64.5 172.39 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.406 ' CB ' HD23 ' A' ' 31' ' ' LEU . 7.8 tp10 -59.36 158.84 8.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -55.15 135.26 49.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 42.59 49.55 4.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.406 HD23 ' CB ' ' A' ' 28' ' ' GLU . 57.1 tp -111.06 116.14 30.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.571 ' CE3' ' HA ' ' A' ' 121' ' ' ALA . 83.6 m95 -74.61 99.06 3.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.474 HG23 ' CB ' ' A' ' 27' ' ' ALA . 59.4 t -101.11 114.54 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.6 t -112.57 106.82 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.414 HD11 ' CD2' ' A' ' 20' ' ' TYR . 16.8 tt -99.39 159.49 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.437 ' CE1' HG13 ' A' ' 48' ' ' VAL . 16.2 t-80 -150.53 111.18 4.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.04 114.04 11.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -114.53 159.02 20.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.419 ' NE ' HD13 ' A' ' 81' ' ' LEU . 6.4 ptt180 -175.26 129.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.492 ' O ' ' C ' ' A' ' 41' ' ' SER . 36.2 t -35.77 -58.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.492 ' C ' ' O ' ' A' ' 40' ' ' SER . 58.4 m -31.07 -43.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 40' ' ' SER . 15.6 t -91.85 129.15 43.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.6 0.714 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -51.22 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.372 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.8 mtp -54.34 -54.11 44.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.2 m -38.36 -38.22 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.06 -68.49 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 48' ' ' VAL . 5.2 p -50.66 -38.41 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.437 HG13 ' CE1' ' A' ' 36' ' ' HIS . 96.1 t -62.21 -40.16 86.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -57.25 -44.94 84.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -54.95 -49.59 70.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.401 ' ND1' HD13 ' A' ' 109' ' ' LEU . 32.9 m-70 -56.68 -46.43 81.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.595 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.4 mt -52.4 -41.97 63.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.4 t -54.79 -38.47 67.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.2 t -80.26 -41.55 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.426 ' CD1' HD23 ' A' ' 112' ' ' LEU . 40.9 mt -63.72 -28.01 69.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.3 -49.23 74.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -72.26 -36.13 68.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -62.46 -49.51 75.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.534 ' CZ ' HD11 ' A' ' 122' ' ' ILE . 40.4 m-85 -112.84 91.64 18.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -36.08 11.3 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.322 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -55.36 -54.89 38.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.402 HG21 ' CZ ' ' A' ' 64' ' ' PHE . 28.6 m -68.83 120.35 14.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -76.34 116.83 17.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.402 ' CZ ' HG21 ' A' ' 62' ' ' THR . 97.9 m-85 -105.36 126.24 51.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.8 m -139.61 142.58 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.02 141.75 49.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -162.46 138.96 7.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 32.1 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.859 0.362 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.524 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 26.5 mt -96.57 152.09 38.38 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.601 0.715 . . . . 0.0 110.922 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.75 163.75 80.97 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.371 -0.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.619 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 54.8 m -138.96 141.18 38.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.426 ' N ' HG21 ' A' ' 83' ' ' THR . 70.6 mt -143.52 121.47 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.619 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 77.7 m-85 -123.17 136.68 54.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 24.6 t -111.96 115.36 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 43.5 m-85 -115.48 128.82 56.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.492 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 19.5 ttpt -122.1 -60.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -109.13 38.87 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.49 18.15 76.39 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.593 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 42.7 mt-30 -126.51 -174.93 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 110.889 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 79.2 mt -104.68 85.05 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -55.18 -35.18 64.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.88 126.26 1.33 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.527 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.508 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 14.9 pttm -115.43 148.16 39.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 5.8 m-85 -140.32 105.0 4.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.435 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 5.0 mp -124.43 129.41 73.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 112.69 124.52 4.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 98' ' ' GLY . 60.9 mt -35.59 -53.58 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 111.129 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.2 mt -64.4 -49.46 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 25.5 mt-10 -51.42 -33.02 28.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.7 t -90.2 23.31 2.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.07 -46.68 1.69 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.43 160.42 11.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.466 HD11 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -50.41 -20.47 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.466 ' N ' HD11 ' A' ' 105' ' ' ILE . 3.5 p30 -101.79 25.75 8.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.8 122.21 17.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -80.94 162.65 23.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.401 HD13 ' ND1' ' A' ' 51' ' ' HIS . 29.1 tp -61.71 -40.15 94.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -73.24 -42.04 63.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -47.37 -54.78 10.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.426 HD23 ' CD1' ' A' ' 55' ' ' LEU . 63.9 tp -58.94 -43.57 91.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -43.61 -41.29 4.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.49 ' O ' ' N ' ' A' ' 117' ' ' SER . 24.0 t90 -67.47 -56.48 9.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -38.04 -52.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.91 -31.95 73.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 120' ' ' GLY . 3.7 t -72.53 -62.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -38.93 -37.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 71.5 t -72.72 -38.13 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 121.35 3.07 10.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.571 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -68.65 -40.38 80.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.328 . . . . 0.0 111.097 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 59' ' ' PHE . 34.6 pt -140.39 -176.02 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -125.4 102.56 7.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.1 p -101.88 160.33 14.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.815 0.34 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -116.64 -70.78 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.34 49.25 5.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.49 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.441 ' OE2' ' C ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -175.11 168.24 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.0 110.88 -179.838 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.441 ' C ' ' OE2' ' A' ' 11' ' ' GLU . 29.8 tp -107.63 126.78 53.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -121.78 -177.96 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -133.69 134.9 43.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 42.8 pt -122.79 167.46 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.7 p -96.52 178.99 5.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.52 -49.89 66.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -58.83 -32.54 69.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -79.64 -32.69 41.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.554 ' CE2' HD11 ' A' ' 35' ' ' ILE . 3.3 t80 -38.62 -52.48 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 23' ' ' GLU . 53.2 t -67.94 -70.21 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -43.16 -22.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.441 ' O ' ' CA ' ' A' ' 27' ' ' ALA . 69.6 mm-40 -98.37 -75.57 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.7 t -60.13 -58.35 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.5 m -56.84 -67.51 0.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -83.07 34.23 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.456 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -58.99 166.48 2.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' A' ' 29' ' ' LYS . 21.6 tt0 -50.5 154.49 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.449 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -50.84 139.09 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 29' ' ' LYS . 5.1 p-10 37.77 49.83 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.8 tp -115.49 123.9 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.555 ' CZ3' ' HG3' ' A' ' 93' ' ' GLU . 73.8 m95 -84.04 112.12 19.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.456 HG22 ' CB ' ' A' ' 27' ' ' ALA . 91.1 t -110.64 120.39 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.42 HG13 ' CD2' ' A' ' 116' ' ' LEU . 91.7 t -109.6 109.9 30.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.554 HD11 ' CE2' ' A' ' 20' ' ' TYR . 9.3 tt -98.62 145.8 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.549 ' CD2' HG13 ' A' ' 48' ' ' VAL . 7.0 t-80 -137.23 112.74 9.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mt -79.21 99.55 7.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -90.29 157.57 17.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -151.03 122.45 7.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -53.49 -25.98 18.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.6 m -71.21 -33.77 70.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 t -90.94 120.16 68.74 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -25.27 28.69 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -51.24 60.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 46' ' ' LEU . 1.9 p -42.27 -42.34 3.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.438 ' N ' ' SG ' ' A' ' 45' ' ' CYS . 85.4 mt -45.3 -59.55 2.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.6 t -55.12 -41.1 57.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.549 HG13 ' CD2' ' A' ' 36' ' ' HIS . 19.4 t -61.62 -41.75 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -67.02 -32.29 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -63.79 -41.68 97.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -73.19 -51.11 19.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.579 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.6 mt -47.11 -23.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -71.7 -55.38 7.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -72.42 -29.16 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.36 -17.75 62.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.419 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -80.11 -43.75 21.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.078 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.79 -27.49 55.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.416 ' HG2' ' CE1' ' A' ' 59' ' ' PHE . 40.7 tttt -74.49 -44.23 52.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.416 ' CE1' ' HG2' ' A' ' 58' ' ' LYS . 36.7 m-85 -117.02 83.75 15.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.694 0.759 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.65 30.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.307 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -70.26 -25.0 63.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.48 HG23 ' CZ ' ' A' ' 64' ' ' PHE . 54.4 m -95.75 129.38 42.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.58 136.99 42.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.48 ' CZ ' HG23 ' A' ' 62' ' ' THR . 88.9 m-85 -131.56 112.37 12.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.46 148.54 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -129.32 143.16 50.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.77 154.54 43.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.8 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 29.0 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.517 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 16.2 mt -72.64 153.22 91.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.566 0.698 . . . . 0.0 110.949 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.72 176.94 30.51 Favored 'Cis proline' 0 C--O 1.232 0.212 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.39 -0.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.5 m -149.64 133.83 17.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.6 mt -135.32 141.01 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -139.78 109.88 6.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.5 t -88.7 136.63 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 23.9 m-85 -125.01 134.14 52.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -110.67 -57.93 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -128.77 39.79 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 90.04 21.97 37.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.51 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 1.0 OUTLIER -130.66 -175.43 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.32 . . . . 0.0 110.936 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.404 ' N ' ' HG3' ' A' ' 91' ' ' GLN . 39.7 mt -104.57 83.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 40.0 mm-40 -56.81 -37.58 71.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -161.67 136.91 4.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -129.9 144.53 51.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.329 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 3.0 m-85 -134.12 105.73 6.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.43 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 4.7 mp -117.18 117.52 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.57 130.74 4.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 97.2 mt -43.63 -45.79 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 111.096 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.1 mp -71.73 -40.14 69.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.43 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 13.2 mt-10 -61.04 -23.42 65.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.417 ' C ' ' HE3' ' A' ' 115' ' ' LYS . 30.5 t -101.33 22.32 12.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.29 -41.42 2.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 107' ' ' LEU . . . 109.93 159.96 18.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.547 ' CD1' ' CG ' ' A' ' 106' ' ' ASN . 2.3 pp -44.58 -25.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 111.122 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.547 ' CG ' ' CD1' ' A' ' 105' ' ' ILE . 25.8 m120 -90.17 24.2 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 104' ' ' GLY . 63.5 tp -62.65 119.02 8.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -88.84 147.03 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.0 tp -43.69 -31.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -80.72 -52.93 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -40.99 -54.52 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.465 ' N ' HD13 ' A' ' 107' ' ' LEU . 45.1 tp -65.7 -35.7 81.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -56.92 -35.55 69.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.6 t90 -73.86 -54.49 7.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.461 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 30.2 mttm -38.65 -51.78 1.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.42 ' CD2' HG13 ' A' ' 34' ' ' VAL . 17.2 mt -65.75 -31.12 71.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.9 t -72.98 -62.45 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -40.21 -27.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 117' ' ' SER . 81.6 t -78.91 -39.31 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 123.76 2.23 8.78 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.18 -45.37 60.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.725 0.298 . . . . 0.0 111.067 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 35.8 pt -134.64 -175.33 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -122.12 103.2 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.4 p -88.88 178.41 6.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.868 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.4 mttm . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.786 0.326 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -105.05 -176.07 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.67 41.81 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -175.35 162.58 2.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.3 tp -83.83 126.26 32.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -115.39 -178.22 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -137.64 147.19 44.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 37.9 pt -134.31 171.21 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.9 p -102.68 177.5 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -57.49 -74.77 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.457 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -39.88 -33.05 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' TYR . 16.0 mm-40 -75.69 -39.55 57.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.499 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 2.1 t80 -35.4 -48.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.464 ' CG1' ' HB ' ' A' ' 25' ' ' THR . 91.9 t -73.57 -67.02 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -46.55 -18.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 5.5 mm-40 -101.36 -68.85 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.8 t -66.62 -51.76 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.464 ' HB ' ' CG1' ' A' ' 21' ' ' VAL . 28.7 m -66.95 -68.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -78.27 40.09 0.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 23' ' ' GLU . . . -81.62 166.61 20.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.403 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 22.1 tt0 -53.89 151.68 6.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' LYS . 10.8 tttm -64.06 -59.54 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -89.22 50.83 2.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.403 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 5.9 tp -138.7 138.53 37.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.539 ' CZ2' ' HE3' ' A' ' 88' ' ' LYS . 91.3 m95 -102.46 119.59 39.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.1 t -113.92 101.99 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.6 t -97.71 101.31 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.0 tt -92.83 146.5 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.46 ' CE1' ' HB ' ' A' ' 48' ' ' VAL . 6.2 t-160 -130.18 102.08 6.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.0 mt -64.71 120.31 12.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 66' ' ' LYS . 16.4 p90 -128.32 141.93 51.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 41' ' ' SER . 2.0 ptp180 -117.96 24.5 10.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 39' ' ' ARG . 1.2 t 37.43 27.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' ARG . 1.9 m -131.5 -32.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.481 ' CG1' ' HD2' ' A' ' 43' ' ' PRO . 5.2 t -78.56 136.34 59.8 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.623 0.725 . . . . 0.0 111.156 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 53.8 Cg_endo -69.76 -36.42 10.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.365 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -40.25 84.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.42 -51.32 47.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.2 mt -43.86 -45.42 7.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.444 HG12 ' NE2' ' A' ' 51' ' ' HIS . 90.2 t -67.35 -44.5 87.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.46 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 54.0 t -58.44 -44.12 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -59.65 -40.55 88.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -57.16 -46.86 82.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.463 ' CB ' HD22 ' A' ' 112' ' ' LEU . 20.0 m-70 -68.06 -51.39 47.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.631 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.445 ' CD1' HG13 ' A' ' 48' ' ' VAL . 55.7 mt -51.98 -38.26 56.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.9 t -54.69 -57.21 12.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.499 HG11 ' N ' ' A' ' 55' ' ' LEU . 13.0 p -72.06 -29.8 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.499 ' N ' HG11 ' A' ' 54' ' ' VAL . 70.8 mt -71.22 -18.57 62.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.439 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . . . -76.38 -43.04 42.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.078 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -80.23 -38.62 30.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -64.3 -43.87 93.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -116.34 92.31 36.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.718 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -33.42 16.52 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.661 2.24 . . . . 0.0 112.361 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -54.04 -49.47 68.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.499 HG23 ' CE2' ' A' ' 64' ' ' PHE . 87.2 m -70.95 127.06 31.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -93.37 89.76 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.499 ' CE2' HG23 ' A' ' 62' ' ' THR . 40.4 m-85 -76.37 135.29 39.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.7 m -150.07 137.2 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.449 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . 28.7 pttt -110.03 137.59 47.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.08 134.59 38.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 85.6 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.859 0.361 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 25.1 mt -90.24 154.77 46.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.71 173.52 44.09 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.309 -0.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.541 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 51.5 m -147.35 141.72 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.7 mt -143.74 136.32 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.184 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.541 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 71.8 m-85 -133.25 118.58 18.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 43.1 t -92.55 127.28 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -118.93 132.76 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.539 ' HE3' ' CZ2' ' A' ' 32' ' ' TRP . 18.8 tptp -124.07 -48.4 1.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -126.42 41.97 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.5 23.52 67.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -134.7 -174.43 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.9 mt -105.72 84.14 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -54.13 -36.16 62.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -163.75 123.88 1.22 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.409 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 18.8 ptpt -115.58 148.4 39.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 2.3 m-85 -137.4 105.36 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.466 HD13 ' N ' ' A' ' 97' ' ' ILE . 4.6 mp -118.24 119.44 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 117.93 137.89 5.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.474 HD12 ' CD ' ' A' ' 82' ' ' PRO . 39.1 mm -41.14 -62.32 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 111.111 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.7 mt -57.68 -51.84 65.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.458 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 11.8 mt-10 -47.59 -37.62 12.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.56 28.75 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.56 -53.2 1.3 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.543 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 117.64 162.64 12.55 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.481 HD11 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -55.91 -16.81 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.339 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.481 ' N ' HD11 ' A' ' 105' ' ' ILE . 11.9 p30 -111.66 25.46 11.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 112' ' ' LEU . 22.9 tp -71.2 125.91 28.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -78.02 165.44 24.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.441 HD13 ' CG1' ' A' ' 54' ' ' VAL . 30.1 tp -66.24 -38.68 88.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -73.56 -44.64 56.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -48.71 -56.71 7.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.469 ' HB2' ' CD2' ' A' ' 107' ' ' LEU . 40.9 tp -55.45 -45.36 76.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -45.99 -42.34 13.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.452 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.0 t90 -60.11 -52.45 65.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -40.43 -49.33 2.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.3 mt -68.52 -31.16 70.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 120' ' ' GLY . 13.9 t -72.72 -62.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -40.49 -35.08 0.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.2 t -72.67 -39.11 60.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.506 ' O ' ' CZ2' ' A' ' 32' ' ' TRP . . . 122.67 8.35 6.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.508 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -75.78 -47.43 25.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.744 0.307 . . . . 0.0 111.08 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 23.5 pt -132.9 179.89 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -118.69 99.89 7.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.3 p -99.66 147.02 25.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.575 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 1.4 ptmm? . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.575 ' CE1' ' HG3' ' A' ' 8' ' ' LYS . 13.5 m-85 -122.32 -72.68 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.09 40.25 95.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.84 159.33 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.9 tp -97.5 133.34 42.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.2 mmm-85 -120.76 177.94 4.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -135.28 138.85 43.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 30.3 pt -132.51 168.42 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 p -99.51 177.92 5.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -58.05 -75.48 0.26 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.408 ' O ' ' OD1' ' A' ' 22' ' ' ASN . 40.9 m-20 -39.07 -34.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 20' ' ' TYR . 13.7 mm-40 -72.7 -40.19 66.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.531 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.9 t80 -33.74 -47.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.409 ' C ' ' N ' ' A' ' 23' ' ' GLU . 88.0 t -69.32 -69.45 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.147 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 18' ' ' ASN . 1.5 m120 -45.21 -21.18 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 21' ' ' VAL . 74.9 mm-40 -100.14 -75.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.507 HG13 ' CG ' ' A' ' 87' ' ' TYR . 47.0 t -57.26 -54.93 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.5 m -63.38 -66.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.172 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -81.75 37.8 0.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.51 171.24 6.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -50.96 147.25 5.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 23.0 tttp -56.82 137.39 54.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER 46.0 48.26 12.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 tp -122.72 140.48 52.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.553 ' CZ3' ' HG3' ' A' ' 93' ' ' GLU . 94.3 m95 -90.38 127.13 36.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.9 t -126.64 111.55 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 68.9 t -105.49 103.79 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.531 HD13 ' CD2' ' A' ' 20' ' ' TYR . 8.4 tt -96.07 143.62 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.427 ' CE1' HG12 ' A' ' 48' ' ' VAL . 8.6 t-80 -131.86 124.85 30.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.457 ' HB2' ' CD2' ' A' ' 81' ' ' LEU . 10.7 mt -95.44 146.24 24.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.432 ' CB ' ' HB2' ' A' ' 45' ' ' CYS . 21.0 p90 -146.0 139.6 26.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 41' ' ' SER . 13.3 ptm180 -110.71 23.15 14.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.6 m 40.51 25.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 39' ' ' ARG . 3.6 p -128.02 -30.16 2.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.489 ' CG1' ' HD2' ' A' ' 43' ' ' PRO . 2.3 t -81.15 136.79 49.71 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.646 0.736 . . . . 0.0 111.162 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.489 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 54.1 Cg_endo -69.75 -10.36 28.38 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' ' 46' ' ' LEU . 7.5 mtp -87.2 -59.4 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.432 ' HB2' ' CB ' ' A' ' 38' ' ' TYR . 16.4 p -37.63 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 44' ' ' MET . 69.5 mt -68.44 -64.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 48' ' ' VAL . 6.4 p -55.45 -38.89 50.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.427 HG12 ' CE1' ' A' ' 36' ' ' HIS . 88.2 t -63.14 -41.98 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -58.09 -43.95 87.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -58.07 -46.29 85.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 109' ' ' LEU . 10.4 m-70 -61.65 -47.96 83.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.8 mt -45.37 -56.24 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 p -47.54 -39.03 15.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.4 t -77.73 -36.45 22.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.401 HD11 ' CD1' ' A' ' 116' ' ' LEU . 30.8 mt -69.04 -30.69 69.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.447 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -66.34 -47.25 74.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.094 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -75.12 -29.26 60.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.574 ' HE3' ' CZ ' ' A' ' 59' ' ' PHE . 29.3 ttpt -71.58 -47.2 56.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.574 ' CZ ' ' HE3' ' A' ' 58' ' ' LYS . 33.2 m-85 -121.61 94.42 48.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.671 0.748 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -35.14 13.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.707 2.271 . . . . 0.0 112.353 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -55.1 -44.68 75.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.5 m -78.38 125.09 28.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -75.24 141.52 43.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.447 ' CD2' ' HA ' ' A' ' 56' ' ' ALA . 98.0 m-85 -131.96 120.15 22.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.1 m -143.23 138.91 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.89 138.75 51.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.47 152.63 50.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 90.3 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.872 0.368 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.509 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 56.9 mt -85.26 155.36 60.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.566 0.698 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.0 Cg_endo -69.76 160.45 88.01 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.377 -0.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 87.6 m -138.37 124.04 19.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.4 mt -121.73 125.5 73.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -122.86 116.97 24.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 66.6 t -95.71 134.26 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.507 ' CG ' HG13 ' A' ' 24' ' ' VAL . 7.6 m-85 -122.52 133.77 54.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . 15.0 tptp -121.87 -58.39 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -121.46 46.22 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.34 19.44 78.27 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -134.93 176.43 8.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 77.6 mt -95.43 90.59 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.553 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 13.3 mm-40 -63.91 -32.99 74.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.89 123.22 1.21 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.459 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -114.7 139.88 49.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 3.1 m-85 -129.46 101.68 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.446 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 4.7 mp -117.42 121.45 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.85 134.7 6.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.484 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.4 mt -42.81 -56.6 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 111.158 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mp -58.49 -53.92 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 16.9 mt-10 -47.16 -35.81 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.6 t -90.23 31.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.44 ' N ' ' HE3' ' A' ' 115' ' ' LYS . . . 89.25 -47.05 3.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.455 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 118.95 166.86 13.62 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.47 HD11 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -57.06 -13.71 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 111.12 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.47 ' N ' HD11 ' A' ' 105' ' ' ILE . 76.7 m-20 -93.28 -16.37 24.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.436 HD13 ' CA ' ' A' ' 112' ' ' LEU . 3.5 tp -34.96 121.25 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.1 157.48 16.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.5 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 4.9 tp -46.69 -42.22 16.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -70.06 -41.47 74.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -53.46 -54.85 31.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.436 ' CA ' HD13 ' A' ' 107' ' ' LEU . 35.1 tp -57.83 -47.35 82.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -44.25 -43.45 7.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.481 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.9 t90 -65.29 -53.66 40.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.44 ' HE3' ' N ' ' A' ' 103' ' ' GLY . 19.8 mttm -38.75 -51.14 1.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.401 ' CD1' HD11 ' A' ' 55' ' ' LEU . 13.3 mt -66.72 -31.52 72.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 114' ' ' TRP . 12.3 t -71.76 -60.57 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -41.16 -34.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 73.5 t -73.58 -37.62 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 118.65 10.34 8.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.51 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -78.67 -43.73 25.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.75 0.309 . . . . 0.0 111.09 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.568 HD13 ' CE2' ' A' ' 59' ' ' PHE . 19.6 pt -132.13 -179.02 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -116.77 102.08 9.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.8 p -90.24 175.16 7.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.572 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.815 0.341 . . . . 0.0 110.922 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.572 ' CE1' ' HG3' ' A' ' 8' ' ' LYS . 6.2 m-85 -112.37 -176.99 3.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.26 37.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.539 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -174.99 166.76 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.9 tp -94.36 108.51 20.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.7 mtp85 -97.25 167.81 10.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -119.15 131.98 55.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.415 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 42.7 pt -123.49 165.21 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.1 p -95.29 161.78 13.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -48.25 -59.06 6.66 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -52.82 -30.85 35.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 20' ' ' TYR . 26.5 mm100 -76.87 -40.04 48.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.549 ' CE2' HD12 ' A' ' 35' ' ' ILE . 1.5 t80 -34.42 -45.85 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.917 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.4 t -69.41 -71.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -43.56 -23.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.457 ' O ' ' CA ' ' A' ' 27' ' ' ALA . 45.4 mm-40 -96.87 -73.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 20' ' ' TYR . 39.3 t -59.15 -56.2 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 m -61.72 -70.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -81.94 39.13 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.485 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -63.58 153.81 34.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 4.7 tp10 -38.3 152.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 30' ' ' ASP . 2.3 tppp? -49.29 141.48 8.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' LYS . 3.1 m-20 33.84 50.46 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 tp -112.9 121.5 44.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.566 ' CE3' ' HA ' ' A' ' 121' ' ' ALA . 80.6 m95 -79.23 115.02 18.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.485 HG22 ' CB ' ' A' ' 27' ' ' ALA . 86.2 t -114.15 121.82 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.5 t -114.43 101.54 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.549 HD12 ' CE2' ' A' ' 20' ' ' TYR . 14.9 tt -95.12 152.44 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.511 ' CE1' ' HB3' ' A' ' 38' ' ' TYR . 9.7 t-80 -140.64 121.32 14.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.5 111.83 20.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.519 ' CZ ' HD11 ' A' ' 68' ' ' ILE . 4.1 p90 -121.71 158.83 27.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -144.37 179.17 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 t -102.2 34.26 2.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 m -132.36 -29.93 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.0 t -91.57 123.81 62.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.651 0.739 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -22.57 31.83 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.503 ' SD ' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -73.49 -65.05 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 44' ' ' MET . 8.8 p -36.01 -33.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' MET . 31.6 mt -53.47 -64.25 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 48' ' ' VAL . 5.9 p -57.13 -36.63 52.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.503 ' CG2' ' SD ' ' A' ' 44' ' ' MET . 93.1 t -55.88 -45.85 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.165 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.67 -44.78 93.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -49.22 -50.86 36.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.446 ' NE2' ' O ' ' A' ' 107' ' ' LEU . 69.9 m-70 -65.95 -46.84 76.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.574 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 35.6 mt -57.47 -27.0 62.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -69.57 -51.38 35.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.484 HG11 ' N ' ' A' ' 55' ' ' LEU . 13.2 p -74.98 -28.99 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.159 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.484 ' N ' HG11 ' A' ' 54' ' ' VAL . 29.5 mt -70.45 -19.08 62.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.77 -49.64 57.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 2.2 ptm85 -70.71 -38.91 73.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -57.58 -49.32 76.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.422 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 46.4 m-85 -111.93 84.16 5.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.649 0.738 . . . . 0.0 110.925 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -18.19 37.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.309 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -71.19 -43.1 68.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.6 m -85.05 130.64 34.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.177 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.406 ' HD2' ' CZ ' ' A' ' 9' ' ' PHE . 10.9 tttt -76.48 141.23 41.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -132.79 116.72 16.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.7 m -134.41 142.26 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -119.25 130.82 55.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.61 139.54 45.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.519 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 36.9 mm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 81' ' ' LEU . 1.8 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.858 0.361 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.537 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 31.1 mt -34.99 152.83 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.585 0.707 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.4 Cg_endo -69.76 164.3 79.57 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.323 -0.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.491 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 33.5 m -134.57 130.64 36.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.1 mt -130.66 135.98 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.491 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 67.3 m-85 -134.84 121.89 21.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.6 t -100.74 134.98 38.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.484 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 26.7 m-85 -127.3 136.65 52.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.487 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -122.41 -60.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -117.47 43.16 2.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.54 29.79 54.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.484 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 58.5 mt-30 -140.79 -176.97 4.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.756 0.312 . . . . 0.0 110.935 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 86.7 mt -102.31 89.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -60.58 -33.86 73.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -172.08 124.8 1.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -110.34 155.96 21.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -139.52 108.09 5.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.443 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 4.8 mp -121.73 126.18 74.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.41 130.06 6.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 84.6 mt -38.49 -59.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 111.108 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.0 mt -54.14 -55.41 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.443 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 9.5 mt-10 -47.1 -37.54 9.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 28.0 m -88.93 28.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.43 ' N ' ' HE3' ' A' ' 115' ' ' LYS . . . 90.69 -43.2 2.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.414 ' C ' ' HE1' ' A' ' 44' ' ' MET . . . 112.15 176.72 19.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.471 HD11 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -59.75 -19.4 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.825 0.345 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.471 ' N ' HD11 ' A' ' 105' ' ' ILE . 43.1 m-20 -98.77 25.19 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 54.2 tp -60.42 109.39 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -84.95 152.88 23.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 47.9 tp -49.93 -40.09 42.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -73.29 -49.4 27.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -48.8 -57.43 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 107' ' ' LEU . 51.9 tp -58.81 -46.34 87.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -44.62 -43.57 8.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.496 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.9 t90 -61.93 -56.27 20.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.43 ' HE3' ' N ' ' A' ' 103' ' ' GLY . 20.3 mttm -38.11 -52.17 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.11 -32.59 74.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 114' ' ' TRP . 10.6 t -70.97 -60.14 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -42.64 -33.71 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 53.2 t -70.92 -38.06 70.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.532 ' O ' ' CZ2' ' A' ' 32' ' ' TRP . . . 121.46 8.86 7.44 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.566 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -77.51 -51.91 9.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.422 ' HB ' ' CE2' ' A' ' 59' ' ' PHE . 35.3 pt -125.32 -179.16 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 123' ' ' GLN . 2.7 pp0? -123.91 94.52 4.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 125' ' ' ASP . 28.5 t -102.98 133.42 48.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 124' ' ' SER . 5.1 m-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.9 p -134.85 159.17 42.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -114.02 -62.01 1.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.5 92.0 0.25 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 p -68.61 108.58 3.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 m -81.01 138.71 36.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.21 141.5 34.26 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.423 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -118.77 -36.57 3.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.913 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -103.33 -177.45 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.24 37.38 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -170.22 165.01 9.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.5 tp -95.53 121.59 37.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.7 mtm-85 -116.37 167.3 11.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -119.11 143.86 46.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.42 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 29.7 pt -129.0 161.53 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -87.42 176.32 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.27 -64.8 3.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -51.34 -23.71 3.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.758 0.314 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -80.8 -34.69 33.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.523 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 1.7 t80 -41.43 -46.05 3.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.9 t -72.73 -69.33 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -46.66 -20.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -95.25 -74.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.45 ' CG1' ' HB2' ' A' ' 87' ' ' TYR . 14.1 t -63.15 -64.95 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.4 m -48.43 -56.82 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -84.3 25.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 24' ' ' VAL . . . -67.59 172.01 5.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.438 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 4.8 tp10 -56.82 174.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -79.59 -69.24 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -84.92 45.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.438 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 12.3 tp -122.53 147.16 46.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.545 ' CZ3' ' HG3' ' A' ' 93' ' ' GLU . 80.0 m95 -113.3 107.38 15.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 66.9 t -100.53 113.63 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.6 t -109.95 107.33 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.2 tt -97.92 147.07 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.559 ' CE1' ' HB ' ' A' ' 48' ' ' VAL . 6.0 t-80 -138.86 106.65 5.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 mt -73.16 122.78 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -122.0 151.81 40.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -138.08 131.46 30.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.4 t -56.54 -14.4 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 p -85.75 -39.54 17.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 t -88.33 122.52 69.6 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.625 0.726 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -44.28 2.15 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.421 ' SD ' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -43.55 -55.92 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' VAL . 33.5 m -48.94 -58.46 4.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 45' ' ' CYS . 61.0 mt -36.49 -48.01 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.2 t -67.26 -41.75 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 39.9 t -58.65 -32.38 46.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -69.65 -36.9 76.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -56.19 -44.23 79.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.449 ' ND1' HD13 ' A' ' 109' ' ' LEU . 34.4 m-70 -67.79 -39.71 84.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.608 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.54 -22.74 67.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.6 t -70.03 -45.01 68.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.442 HG11 ' N ' ' A' ' 55' ' ' LEU . 7.1 p -85.27 -27.46 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.442 ' N ' HG11 ' A' ' 54' ' ' VAL . 31.7 mt -71.61 -16.08 62.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.971 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.05 -40.0 54.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.415 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 1.1 ptm85 -81.18 -21.89 39.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -77.79 -41.52 37.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -124.82 86.36 56.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -19.91 35.29 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.669 2.246 . . . . 0.0 112.334 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -66.69 -43.95 83.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.3 m -80.53 125.21 29.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.12 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -79.97 115.12 19.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -104.74 135.75 45.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.1 m -153.03 151.7 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.01 146.71 50.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.58 147.96 32.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.2 mt -89.23 144.42 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.9 t -83.81 33.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -82.71 93.18 7.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 t 67.67 35.39 4.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 4.5 m -101.91 -44.76 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.6 mm -121.39 156.57 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -97.35 -67.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -38.55 -54.14 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -41.9 105.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.525 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 21.1 p80 -110.74 -53.27 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.525 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 7.5 t70 -170.0 166.26 9.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.8 t30 54.46 49.26 18.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.5 m -125.93 -50.33 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.513 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 34.0 mt -71.35 155.9 92.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.573 0.701 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.72 163.44 81.72 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.377 -0.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.614 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 21.4 m -139.8 126.44 20.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.181 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 77.8 mt -127.24 136.05 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.614 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 62.1 m-85 -130.13 137.77 50.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.6 t -115.01 117.12 54.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.535 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 35.9 m-85 -115.94 128.88 56.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -109.18 -60.87 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -124.31 43.31 3.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.43 25.06 44.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.478 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.535 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 9.7 pt20 -131.13 -177.65 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.0 mt -106.06 83.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.545 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 6.0 mm-40 -54.96 -39.68 69.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -168.18 132.45 2.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.461 ' HG3' ' CD1' ' A' ' 97' ' ' ILE . 0.7 OUTLIER -122.6 149.97 43.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.556 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.6 OUTLIER -138.0 113.87 9.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 95' ' ' LYS . 5.2 mp -121.31 125.92 74.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.81 141.0 8.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 78.8 mt -50.6 -48.12 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 111.163 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.2 mp -64.45 -51.63 65.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -53.69 -28.83 35.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.9 m -96.01 23.26 6.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.7 -55.91 1.01 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.442 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.69 166.96 13.47 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.458 HD11 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -55.32 -14.48 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 111.142 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.458 ' N ' HD11 ' A' ' 105' ' ' ILE . 10.5 p30 -109.45 23.27 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.6 tp -67.28 132.1 47.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -91.36 166.54 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.449 HD13 ' ND1' ' A' ' 51' ' ' HIS . 14.2 tp -66.78 -27.95 68.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -80.91 -44.17 18.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -48.56 -54.74 13.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.5 tp -64.88 -41.29 95.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -52.47 -20.49 2.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.481 ' O ' ' N ' ' A' ' 117' ' ' SER . 18.1 t90 -88.75 -52.47 5.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -38.87 -51.88 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.8 mt -65.5 -31.39 72.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.4 t -70.48 -58.33 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -47.09 -24.67 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.6 t -81.38 -37.15 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.074 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 123.22 1.33 9.41 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.25 -39.85 68.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.768 0.318 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 36.3 pt -140.59 179.97 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.506 ' NE2' ' H ' ' A' ' 123' ' ' GLN . 1.7 pm0 -122.94 91.21 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.2 t -85.58 178.27 7.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -100.76 -30.69 11.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.52 136.53 1.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -39.61 123.57 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.78 165.9 15.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 130' ' ' SER . 33.4 m120 -94.46 156.2 16.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 129' ' ' ASN . 72.2 m -35.81 -47.51 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 148.76 87.22 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -39.23 6.87 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.368 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.6 t -122.02 -51.68 2.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.3 t -56.97 -55.82 29.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m -133.44 139.79 46.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.863 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t -157.66 149.12 21.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.14 -130.99 1.68 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 m -114.27 163.08 15.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.879 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -139.63 173.13 11.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.51 139.66 2.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -108.48 -48.14 3.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.798 0.332 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -99.67 -176.05 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.94 33.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -174.85 143.58 0.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.0 tp -74.06 125.11 27.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -108.42 -176.04 2.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' OE1' ' C ' ' A' ' 14' ' ' GLU . 1.6 tm-20 -137.15 130.12 30.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.9 pt -125.89 162.08 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.53 168.39 10.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.41 -64.0 4.7 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -45.99 -30.23 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.321 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 20' ' ' TYR . 55.8 mm-40 -80.99 -35.79 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.491 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 2.8 t80 -34.26 -45.25 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.1 t -72.67 -59.23 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.168 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -54.96 -14.26 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -105.15 -70.54 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.45 HG21 ' CG1' ' A' ' 33' ' ' VAL . 61.3 t -65.62 -71.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 83.4 m -40.86 -65.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -84.04 31.99 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 24' ' ' VAL . . . -58.87 155.06 13.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -44.35 156.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -66.17 131.44 46.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 57.08 42.72 25.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.5 tp -115.4 136.62 52.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.573 ' CZ2' ' HE2' ' A' ' 88' ' ' LYS . 87.9 m95 -91.58 104.93 17.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.45 ' CG1' HG21 ' A' ' 24' ' ' VAL . 76.8 t -106.12 114.47 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.126 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.08 99.76 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.183 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.412 HD12 ' CD2' ' A' ' 20' ' ' TYR . 11.4 tt -92.24 149.76 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.463 ' CE1' ' HB ' ' A' ' 48' ' ' VAL . 7.8 t-80 -140.34 112.73 7.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 mt -76.18 88.97 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -83.8 152.97 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HG3' ' CD1' ' A' ' 81' ' ' LEU . 14.1 mmm180 -146.79 141.67 26.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.2 t -66.82 -44.39 81.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.5 m -53.49 -39.72 64.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 t -88.74 125.06 64.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.587 0.708 . . . . 0.0 111.177 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -50.56 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.713 2.275 . . . . 0.0 112.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.93 -57.48 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.1 m -38.11 -58.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.1 mt -38.0 -51.92 1.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.96 -42.79 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.463 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 11.5 t -60.94 -36.33 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.25 -38.57 75.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -57.8 -50.08 74.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -65.89 -40.04 91.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.557 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.4 mt -56.41 -50.62 71.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.8 t -45.3 -43.11 10.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.2 t -78.34 -45.6 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.08 -11.24 5.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.64 -38.88 17.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -81.78 -18.6 43.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 tttt -84.6 -44.4 13.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -115.71 92.11 32.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -26.43 27.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.268 . . . . 0.0 112.357 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -59.94 -52.62 64.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 85.6 m -70.35 125.48 26.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.116 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -87.78 97.15 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -86.66 132.3 33.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.1 m -148.64 147.76 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' NZ ' ' HB2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -127.99 144.53 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.98 129.85 21.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.084 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 88.0 mt -73.15 125.81 32.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.2 t -76.89 55.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -83.29 -45.26 14.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.0 m -100.44 -44.59 5.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.3 m -38.1 -71.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.472 ' CG2' ' HB2' ' A' ' 76' ' ' TYR . 96.6 mt -128.93 115.92 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 13.6 pt-20 -61.96 -46.49 89.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.458 ' CD2' ' HG3' ' A' ' 74' ' ' GLU . 50.3 m170 -84.0 50.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.472 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 2.7 t80 -132.85 90.86 2.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.425 ' CG ' ' H ' ' A' ' 78' ' ' ASP . 3.9 p80 -123.15 -67.41 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.425 ' H ' ' CG ' ' A' ' 77' ' ' HIS . 41.4 t0 -132.07 -32.67 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -42.59 -34.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.1 m -132.61 38.44 3.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.52 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 15.2 mt -143.27 153.53 59.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.73 169.47 63.07 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.333 -0.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 m -146.79 138.37 24.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 71.2 mt -133.95 139.27 48.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -132.23 133.83 44.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.7 t -112.77 127.54 69.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -120.48 134.42 55.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.573 ' HE2' ' CZ2' ' A' ' 32' ' ' TRP . 8.7 tppt? -103.92 -59.87 1.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -131.32 22.88 4.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.2 6.34 15.99 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -122.97 154.06 38.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 0.0 110.952 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.4 mt -77.91 93.52 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -67.78 -28.68 67.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.39 139.45 5.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -131.81 149.04 52.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -134.38 99.62 4.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.455 HD13 ' N ' ' A' ' 97' ' ' ILE . 4.9 mp -113.4 118.28 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.4 147.86 7.59 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.5 mm -50.79 -54.83 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.0 111.098 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.0 mp -65.93 -46.35 88.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 13.3 mt-10 -54.12 -30.48 48.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 38.6 t -87.34 -15.29 38.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 131.1 -35.51 2.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.86 155.49 20.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.475 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.46 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -52.17 -23.15 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.133 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.46 ' N ' HD12 ' A' ' 105' ' ' ILE . 0.7 OUTLIER -104.1 26.71 8.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.2 tp -66.37 126.52 29.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -83.78 154.08 23.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.3 tp -58.14 -35.62 71.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.48 ' O ' ' CD1' ' A' ' 126' ' ' LEU . 12.3 pt-20 -76.26 -38.1 56.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -56.31 -53.31 58.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.1 tp -59.59 -40.41 87.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -48.59 -31.03 6.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.8 t90 -74.31 -57.03 4.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -38.72 -51.72 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.97 -31.22 72.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 120' ' ' GLY . 1.6 t -73.63 -61.57 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -40.81 -26.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 117' ' ' SER . 82.2 t -83.09 -37.91 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 121.62 -1.98 11.15 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.565 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -67.02 -40.24 87.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.744 0.307 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 35.6 pt -140.05 -177.31 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -123.64 103.83 8.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 59.8 p -102.87 161.53 13.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -80.53 -41.1 24.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 110' ' ' GLU . 12.4 mt -44.31 136.66 3.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 126' ' ' LEU . 32.7 mt-10 -36.7 141.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -73.58 -178.72 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -88.7 147.76 24.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 35.0 m -70.55 100.9 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 163.51 -179.68 38.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -19.13 36.21 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.254 . . . . 0.0 112.336 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.1 t 43.31 40.13 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.8 t -46.6 -54.8 8.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 t -50.49 108.06 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.1 p 39.09 42.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.67 147.37 6.74 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.458 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.9 p -81.08 140.93 34.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -131.82 148.4 52.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.55 161.07 54.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -108.54 -39.88 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -111.09 -175.53 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.54 40.84 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.489 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.14 179.59 2.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.9 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.6 tp -111.0 136.27 50.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -130.88 -176.66 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -131.69 141.57 49.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.421 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 39.5 pt -129.94 163.58 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.2 m -90.93 176.57 6.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.49 -65.35 3.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -48.03 -25.49 1.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.333 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 20' ' ' TYR . 15.3 mm100 -82.11 -38.5 24.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.523 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 1.8 t80 -36.13 -39.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 23' ' ' GLU . 64.2 t -77.75 -71.23 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -43.82 -22.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' VAL . 5.3 mm-40 -94.42 -72.01 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.416 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 24.1 t -69.54 -71.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.402 ' HB ' ' CG1' ' A' ' 21' ' ' VAL . 44.1 m -40.85 -66.26 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -84.82 32.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 24' ' ' VAL . . . -60.17 163.8 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -46.14 171.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 30' ' ' ASP . 19.6 tttp -65.08 136.49 56.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER 34.44 46.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 tp -109.32 129.0 55.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.556 ' CE3' ' HA ' ' A' ' 121' ' ' ALA . 81.0 m95 -79.96 134.67 36.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.6 t -137.49 113.02 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.0 t -104.19 108.22 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.5 tt -98.58 148.97 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.563 ' CD2' HG12 ' A' ' 48' ' ' VAL . 22.6 t-80 -138.55 120.18 15.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mt -92.15 104.66 17.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.508 ' CZ ' HD11 ' A' ' 68' ' ' ILE . 23.0 p90 -91.5 163.39 14.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.457 ' HD3' ' CD1' ' A' ' 81' ' ' LEU . 19.9 mtp180 -152.61 132.21 13.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.5 p -58.1 -30.28 66.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 t -72.15 -33.88 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.4 t -87.88 119.62 70.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -46.85 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.362 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -51.79 -52.08 51.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 44' ' ' MET . 25.6 m -35.31 -56.31 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.9 mt -44.23 -47.83 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 67.9 t -59.04 -49.22 84.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.563 HG12 ' CD2' ' A' ' 36' ' ' HIS . 48.5 t -54.28 -41.3 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -63.71 -38.56 91.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -54.08 -50.69 66.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -67.52 -48.79 66.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.548 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.465 HD11 ' CB ' ' A' ' 36' ' ' HIS . 30.2 mt -42.77 -34.92 1.01 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -65.31 -45.82 82.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.5 t -72.98 -38.03 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.8 mt -69.1 -25.96 64.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.36 -44.27 75.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -79.3 -24.92 42.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -71.84 -39.67 69.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -121.79 87.38 46.4 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.68 0.752 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -18.64 37.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.381 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -71.33 -40.35 70.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.8 m -87.25 134.32 33.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -81.63 143.85 31.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -134.26 129.72 36.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.6 m -147.97 169.25 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -144.65 147.56 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.33 145.1 31.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.508 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 7.9 mm -75.56 146.2 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' ASN . 89.7 t -64.41 -43.28 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' VAL . 13.7 t-20 -35.27 113.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 t 66.07 47.83 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 49.3 t -130.19 -60.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 25.2 mt -133.62 135.47 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -95.63 -4.25 44.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -97.1 36.24 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.515 ' CE2' ' HB3' ' A' ' 80' ' ' CYS . 4.1 m-85 -127.06 96.05 4.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.523 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 14.1 p-80 -93.9 -47.86 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.843 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.523 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 21.6 t0 -173.51 168.75 4.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 47.78 51.48 14.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.515 ' HB3' ' CE2' ' A' ' 76' ' ' TYR . 7.0 m -127.62 -31.28 2.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.531 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 15.2 mt -95.36 152.33 39.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.79 167.1 72.31 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.292 -0.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.443 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 65.1 m -137.06 127.11 25.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.6 mt -126.83 134.95 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.443 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 61.6 m-85 -128.2 122.98 33.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.2 t -102.0 126.19 56.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 23.6 m-85 -121.89 132.98 54.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.527 ' HG3' ' CZ2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -109.54 -63.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -124.14 39.79 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.06 22.57 32.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.528 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 10.3 pt20 -128.83 -177.69 4.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.77 0.319 . . . . 0.0 110.897 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.9 mt -106.73 83.45 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.507 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 57.0 mm-40 -51.16 -41.65 60.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.54 136.19 4.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -118.98 145.13 46.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.931 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -132.33 98.47 4.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.44 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 5.2 mp -114.24 115.18 48.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 124.24 148.68 7.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 13.7 mm -53.75 -57.04 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.4 mp -64.41 -40.78 90.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 10.8 mt-10 -55.23 -25.52 33.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 14.3 t -102.86 26.81 7.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.76 -31.91 5.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.44 170.41 22.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.482 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.465 HD11 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -60.17 -11.49 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 111.124 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.465 ' N ' HD11 ' A' ' 105' ' ' ILE . 7.3 p30 -105.8 14.48 28.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.7 tp -56.12 112.72 1.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -75.12 168.24 20.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.9 tp -66.73 -30.66 70.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -80.73 -47.14 14.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -49.02 -47.42 44.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.9 tp -62.49 -37.15 84.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -53.91 -39.87 66.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.489 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.7 t90 -68.91 -54.03 17.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -38.92 -49.58 1.68 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.8 mt -68.9 -30.76 69.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 120' ' ' GLY . 1.4 t -72.11 -60.55 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -41.96 -25.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 117' ' ' SER . 83.3 t -83.35 -36.39 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 121.94 -2.09 10.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.451 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.556 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -66.04 -37.56 86.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.319 . . . . 0.0 111.103 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 35.2 pt -145.61 179.04 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -119.59 100.9 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.0 p -95.71 157.15 16.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.11 -43.35 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.5 mt -39.99 128.72 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -37.32 141.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -112.57 113.39 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -75.08 -58.67 3.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 57.2 p -64.39 -25.16 67.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 75.7 -177.39 49.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 123.77 10.41 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.6 t -75.34 -62.53 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 91.6 p -67.31 117.95 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.828 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.426 -0.269 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 m -111.16 150.15 29.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.383 . . . . 0.0 110.898 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 t -120.38 42.49 2.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.25 -120.44 0.54 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.445 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -130.39 111.53 12.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.355 . . . . 0.0 110.875 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -60.69 135.98 57.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.25 139.41 2.87 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -121.34 -39.88 2.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -105.88 -179.66 4.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.11 39.22 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -174.52 170.86 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.6 tp -104.84 123.03 46.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -113.85 -178.61 3.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -132.22 130.23 40.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.5 pt -120.96 164.02 17.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 m -88.13 178.7 6.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.75 -68.24 1.73 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -46.16 -25.99 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.754 0.312 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -80.7 -35.67 33.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.545 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 1.2 t80 -38.1 -47.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.412 HG11 ' CB ' ' A' ' 25' ' ' THR . 73.7 t -70.16 -66.55 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -44.7 -21.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.473 ' O ' ' CA ' ' A' ' 27' ' ' ALA . 60.2 mm-40 -99.54 -74.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.1 t -57.85 -55.33 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.412 ' CB ' HG11 ' A' ' 21' ' ' VAL . 33.0 m -62.32 -65.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -83.39 34.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.473 ' CA ' ' O ' ' A' ' 23' ' ' GLU . . . -60.32 174.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -53.05 -174.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 30' ' ' ASP . 11.9 tttm -73.43 131.65 42.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 29' ' ' LYS . 2.6 p30 35.5 39.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.9 tp -93.89 140.41 29.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.56 ' CE3' ' HA ' ' A' ' 121' ' ' ALA . 81.0 m95 -93.74 119.69 33.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.0 t -119.96 111.62 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.9 t -103.47 105.68 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.534 HD13 ' CD2' ' A' ' 20' ' ' TYR . 12.2 tt -99.61 157.07 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.55 ' CE1' ' HB ' ' A' ' 48' ' ' VAL . 3.7 t-80 -148.01 118.77 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mt -85.19 95.39 9.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -83.93 156.67 22.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -148.52 124.19 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -53.15 -35.1 59.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.2 m -66.13 -31.36 72.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 t -95.4 123.26 57.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.61 0.719 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -45.74 1.49 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -48.31 30.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 73.9 m -50.05 -54.6 19.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.0 mt -41.13 -49.36 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.6 t -64.06 -40.36 88.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.55 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 39.2 t -58.3 -38.17 67.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -69.45 -37.43 77.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -56.3 -42.63 77.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.498 ' ND1' ' CD1' ' A' ' 109' ' ' LEU . 34.8 m-70 -76.34 -49.99 15.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.603 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.3 mt -42.25 -34.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -67.3 -48.72 66.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.8 t -68.53 -38.79 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.429 HD12 ' CD1' ' A' ' 116' ' ' LEU . 17.0 mt -67.68 -24.44 65.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.76 -47.37 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -74.26 -27.73 60.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -70.73 -47.83 57.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -116.26 86.56 17.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.655 0.741 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -19.12 36.4 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.344 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -68.3 -43.74 77.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.7 m -84.4 128.46 34.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -72.33 141.85 48.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -133.12 119.58 20.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.7 m -139.2 157.27 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -135.25 142.01 45.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.78 133.05 28.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 75.0 mt -73.46 142.87 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' A' ' 69' ' ' VAL . 61.1 t -81.55 45.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.12 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.447 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 5.3 p-10 -84.79 86.83 7.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.6 m 62.14 38.95 13.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.43 -62.11 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.495 ' HB ' ' CD1' ' A' ' 76' ' ' TYR . 8.7 mm -108.74 147.78 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -88.32 -29.09 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -82.43 38.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.495 ' CD1' ' HB ' ' A' ' 73' ' ' ILE . 9.1 m-85 -130.84 84.08 2.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.436 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 8.8 p80 -93.9 -54.16 3.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 38.8 t70 -174.25 169.79 3.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 54.34 48.92 19.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.0 t -134.41 -41.65 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.532 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 14.7 mt -83.34 152.44 64.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.562 0.696 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.74 174.03 42.15 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.389 -0.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.51 HG21 ' CE2' ' A' ' 85' ' ' PHE . 54.2 m -146.35 130.61 17.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.9 mt -131.23 111.04 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.51 ' CE2' HG21 ' A' ' 83' ' ' THR . 45.4 m-85 -108.17 127.51 53.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 46.0 t -107.01 128.1 62.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.438 ' CZ ' HG12 ' A' ' 92' ' ' ILE . 43.6 m-85 -124.61 134.04 53.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.557 ' HG3' ' CZ2' ' A' ' 32' ' ' TRP . 0.8 OUTLIER -114.99 -58.89 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -124.5 36.36 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 92.71 7.94 62.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -120.71 153.37 37.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.923 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.438 HG12 ' CZ ' ' A' ' 87' ' ' TYR . 72.7 mt -79.86 91.27 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.53 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 36.7 mm-40 -57.14 -38.17 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -168.06 133.97 3.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -116.36 142.99 46.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.441 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 3.9 m-85 -129.56 87.93 2.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.442 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 5.3 mp -105.16 118.94 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 113.12 128.45 4.88 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.464 ' CG2' HG21 ' A' ' 105' ' ' ILE . 65.1 mt -35.55 -50.14 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.768 0.318 . . . . 0.0 111.145 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.4 mt -64.42 -52.0 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 97' ' ' ILE . 29.5 mt-10 -51.96 -36.87 50.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 2.0 m -85.67 25.56 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.456 ' N ' ' HE2' ' A' ' 115' ' ' LYS . . . 98.34 -51.04 1.27 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.535 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.36 163.72 11.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.464 HD11 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -56.12 -22.47 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 111.133 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.464 ' N ' HD11 ' A' ' 105' ' ' ILE . 14.1 p30 -97.78 19.05 14.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 60.2 tp -58.18 111.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -77.65 162.75 26.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.498 ' CD1' ' ND1' ' A' ' 51' ' ' HIS . 23.4 tp -58.14 -35.21 71.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -77.86 -50.89 11.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -44.79 -53.97 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.5 tp -57.9 -38.81 76.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -53.53 -36.55 61.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.481 ' O ' ' N ' ' A' ' 117' ' ' SER . 16.6 t90 -73.16 -51.3 18.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.456 ' HE2' ' N ' ' A' ' 103' ' ' GLY . 15.6 mtpp -39.43 -48.73 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.429 ' CD1' HD12 ' A' ' 55' ' ' LEU . 16.8 mt -69.63 -30.59 68.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.4 t -71.5 -58.97 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -43.94 -22.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' A' ' 117' ' ' SER . 95.9 t -83.88 -38.48 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 124.81 -1.36 8.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.56 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -68.97 -41.45 77.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.738 0.304 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 32.2 pt -138.25 -177.2 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -120.66 102.63 8.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.975 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.6 p -86.09 166.11 16.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -89.79 -38.04 14.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 55.4 mt -50.07 112.17 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -42.17 144.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -51.1 120.6 5.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -119.2 41.73 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.7 t -59.35 147.33 36.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -98.36 149.35 19.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.643 2.229 . . . . 0.0 112.335 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 134' ' ' SER . 22.8 t -52.46 104.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 133' ' ' SER . 47.1 p 37.3 46.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -149.69 116.32 5.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -46.11 152.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.87 -175.85 47.03 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -66.99 128.84 37.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.342 . . . . 0.0 110.893 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 p -136.68 111.12 8.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.24 163.4 9.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -112.87 -41.34 3.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -100.36 -178.31 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.39 41.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -173.52 155.8 2.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.2 tp -83.28 117.82 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -103.85 -178.7 3.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -140.6 134.29 30.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 26.4 pt -124.6 175.6 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.0 p -105.15 178.48 4.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.13 -60.01 9.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -56.12 -28.2 56.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -78.48 -35.72 46.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.539 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 1.4 t80 -40.49 -45.21 2.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.413 ' C ' ' N ' ' A' ' 23' ' ' GLU . 90.5 t -71.6 -72.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -44.0 -22.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.453 ' O ' ' CA ' ' A' ' 27' ' ' ALA . 5.6 mm-40 -94.9 -73.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.7 t -61.77 -63.02 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.1 m -49.86 -60.1 3.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -87.2 25.51 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.453 ' CA ' ' O ' ' A' ' 23' ' ' GLU . . . -55.27 161.92 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.073 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -48.9 160.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' ASP . 11.9 tppt? -62.44 145.82 53.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' LYS . 3.3 p30 35.38 49.16 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.9 tp -113.39 136.27 52.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.537 ' CE2' ' O ' ' A' ' 120' ' ' GLY . 95.6 m95 -90.62 103.94 16.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.9 t -106.66 106.37 20.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.3 t -102.34 107.49 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.412 ' CG1' ' N ' ' A' ' 36' ' ' HIS . 16.1 tt -99.7 165.47 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.556 ' CE1' HG13 ' A' ' 48' ' ' VAL . 7.1 t-80 -155.6 111.44 3.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 mt -77.33 83.65 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -72.41 156.12 39.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -149.49 121.67 8.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 p -53.28 -24.49 11.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -74.28 -32.27 62.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.1 t -87.67 119.79 70.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.646 0.736 . . . . 0.0 111.083 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -26.79 27.05 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -67.6 -56.82 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' MET . 9.8 p -37.03 -34.51 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.4 mt -47.85 -62.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 48' ' ' VAL . 6.0 p -60.01 -33.55 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.556 HG13 ' CE1' ' A' ' 36' ' ' HIS . 98.8 t -64.04 -37.77 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -74.12 -39.69 63.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -58.31 -49.68 76.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.514 ' CE1' ' HB2' ' A' ' 109' ' ' LEU . 6.9 m-70 -63.7 -42.59 97.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.58 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 39.8 mt -60.59 -20.64 61.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 t -72.51 -44.58 62.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 55' ' ' LEU . 11.9 p -82.87 -31.26 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.411 ' N ' HG12 ' A' ' 54' ' ' VAL . 38.3 mt -69.55 -19.31 63.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.86 -43.68 62.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -79.82 -21.04 44.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 tttp -76.32 -46.33 28.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -115.56 89.31 22.13 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.681 0.753 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -17.54 37.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -70.62 -40.4 73.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.548 HG22 ' CE1' ' A' ' 64' ' ' PHE . 53.6 m -80.82 126.04 30.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -85.78 102.66 13.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.548 ' CE1' HG22 ' A' ' 62' ' ' THR . 56.6 m-85 -94.0 143.16 26.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.0 m -153.82 137.61 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -111.2 117.57 33.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.97 128.94 37.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.082 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.9 mt -74.57 143.32 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.5 p -76.97 50.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -85.86 112.86 21.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.9 p 54.34 27.93 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 3.7 t -91.62 -50.28 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 30.6 mt -141.46 133.56 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.119 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.446 ' HG2' ' N ' ' A' ' 75' ' ' HIS . 22.7 pm0 -91.87 -28.42 17.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.446 ' N ' ' HG2' ' A' ' 74' ' ' GLU . 4.8 m170 -49.44 -34.72 17.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -67.73 127.37 32.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -117.39 -55.72 2.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -173.56 -179.2 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 44.45 45.42 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.4 p -128.03 -36.77 1.94 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 11.6 mt -82.61 153.07 67.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.8 176.11 34.02 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.379 -0.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.539 HG22 ' CE2' ' A' ' 85' ' ' PHE . 70.8 m -149.33 136.2 19.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.169 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.433 ' N ' HG21 ' A' ' 83' ' ' THR . 66.6 mt -136.1 135.46 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.539 ' CE2' HG22 ' A' ' 83' ' ' THR . 48.7 m-85 -131.03 132.66 45.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.2 t -111.92 125.87 69.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -119.21 130.05 55.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.533 ' HE3' ' CZ2' ' A' ' 32' ' ' TRP . 2.8 tppp? -101.35 -58.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -128.9 25.6 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 107.22 14.34 18.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -129.93 155.67 45.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.441 HG23 ' CE ' ' A' ' 95' ' ' LYS . 4.2 mm -76.48 94.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -75.38 -30.22 60.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.85 123.11 1.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.589 ' C ' ' CD1' ' A' ' 96' ' ' PHE . 18.6 ptpt -123.29 161.64 24.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -146.53 112.98 5.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.437 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 5.3 mp -119.33 126.25 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.35 139.57 9.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.6 mt -50.64 -47.58 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.827 0.346 . . . . 0.0 111.084 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.1 mt -64.15 -48.42 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 97' ' ' ILE . 28.2 mt-10 -56.59 -27.77 58.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 37.8 t -96.57 22.22 8.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.04 -52.15 1.02 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 122.3 171.86 13.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.461 HD11 ' ND2' ' A' ' 106' ' ' ASN . 2.5 pp -60.58 -13.68 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 111.128 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.461 ' ND2' HD11 ' A' ' 105' ' ' ILE . 30.3 m-20 -102.62 0.65 33.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.1 tp -45.67 120.01 2.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -81.72 169.06 17.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.514 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 9.4 tp -68.69 -28.73 67.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -84.27 -39.72 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -52.71 -52.69 55.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.1 tp -63.63 -38.6 91.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -52.61 -23.46 6.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.48 ' O ' ' N ' ' A' ' 117' ' ' SER . 20.4 t90 -83.33 -52.88 6.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -39.86 -50.22 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.9 mt -65.59 -30.72 71.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.5 t -72.55 -57.5 4.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -48.93 -20.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 39.1 t -88.89 -36.38 8.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.537 ' O ' ' CE2' ' A' ' 32' ' ' TRP . . . 124.85 -6.16 8.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.513 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -61.14 -42.34 98.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 33.6 pt -141.2 179.45 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -117.15 100.47 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.2 p -110.07 149.58 29.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -53.05 -40.75 64.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.402 ' O ' ' CD1' ' A' ' 114' ' ' TRP . 11.9 mt -63.07 112.18 2.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -113.37 175.42 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -122.56 -46.58 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 130' ' ' SER . 97.3 m-20 -113.93 88.72 2.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 129' ' ' ASN . 28.1 m -34.74 -51.34 0.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 61.74 -158.74 32.25 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 148.82 66.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.8 t -115.32 172.32 7.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 84.4 p -151.23 133.11 15.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.52 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 t -50.02 145.71 5.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.865 0.364 . . . . 0.0 110.848 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.5 m -130.49 151.78 50.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.1 -61.21 0.67 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -120.31 168.32 11.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.907 0.384 . . . . 0.0 110.83 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -160.37 147.14 15.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.36 -165.96 53.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.517 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -118.66 -45.39 2.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -121.25 -69.38 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.35 41.61 25.3 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -175.1 146.34 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.932 0.396 . . . . 0.0 110.835 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.9 tp -80.41 132.26 35.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -125.52 173.61 8.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -127.04 144.55 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.9 pt -133.46 174.91 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.6 m -109.6 -178.36 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.44 -47.2 86.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -62.37 -29.97 70.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' TYR . 62.5 mt-30 -82.15 -33.99 29.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.504 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 2.5 t80 -37.93 -50.72 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.15 -68.98 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.183 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -45.72 -21.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -98.52 -75.39 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.6 t -58.98 -59.58 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.7 m -56.39 -65.83 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -82.41 36.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.461 ' CB ' HG23 ' A' ' 33' ' ' VAL . . . -65.65 147.93 52.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 27' ' ' ALA . 47.3 tt0 -34.56 149.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -55.67 137.43 49.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 46.13 47.87 12.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 tp -114.86 134.93 54.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.564 ' CZ3' ' HG3' ' A' ' 93' ' ' GLU . 86.0 m95 -89.92 105.19 17.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.461 HG23 ' CB ' ' A' ' 27' ' ' ALA . 78.5 t -104.22 128.32 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.165 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.8 t -123.34 104.98 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.6 tt -103.9 138.23 29.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -126.63 104.61 8.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.5 mt -70.18 97.5 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -91.7 164.18 13.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 42' ' ' VAL . 7.5 ttt180 -151.47 118.51 5.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.3 t -46.29 -26.91 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -85.03 22.11 1.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 39' ' ' ARG . 24.9 t -141.4 120.38 8.09 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.644 0.735 . . . . 0.0 111.074 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -49.6 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.659 2.239 . . . . 0.0 112.356 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.444 ' O ' ' CG1' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -42.68 -44.74 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.8 m -55.9 -43.14 76.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.3 mt -41.77 -58.8 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 44' ' ' MET . 2.7 p -64.31 -41.03 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.3 t -55.2 -40.16 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -65.85 -45.96 80.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -47.73 -40.14 19.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -72.07 -44.18 63.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.6 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.1 mt -57.7 -33.52 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 t -59.93 -57.0 14.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.473 HG11 ' N ' ' A' ' 55' ' ' LEU . 8.6 p -74.0 -27.2 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.473 ' N ' HG11 ' A' ' 54' ' ' VAL . 35.1 mt -70.16 -19.37 63.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.423 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -75.54 -44.52 43.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -79.03 -35.27 42.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -62.59 -45.64 91.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.417 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 31.4 m-85 -117.87 90.54 36.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.681 0.753 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -37.37 9.36 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.682 2.255 . . . . 0.0 112.397 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -55.53 -50.65 69.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 98.3 m -75.08 125.46 28.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.073 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.7 tttm -71.06 142.78 50.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.423 ' CD2' ' HA ' ' A' ' 56' ' ' ALA . 83.0 m-85 -132.95 117.9 18.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.29 147.33 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.91 142.56 49.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.23 173.15 15.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.095 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.5 mt -106.07 124.63 61.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 69' ' ' VAL . 9.6 p -86.08 47.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -78.81 -45.67 20.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 t -97.36 -42.73 7.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 3.7 t -40.17 -54.17 2.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.9 mt -135.1 146.6 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 75' ' ' HIS . 10.5 pt-20 -91.57 -41.75 10.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 76' ' ' TYR . 34.8 m-70 -34.49 -71.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.564 ' CD2' ' HB3' ' A' ' 80' ' ' CYS . 76.9 m-85 -33.78 122.57 0.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.483 ' CD2' ' N ' ' A' ' 77' ' ' HIS . 1.4 p80 -132.76 -71.05 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.478 ' H ' ' CG ' ' A' ' 77' ' ' HIS . 30.7 t0 -135.02 -55.85 0.81 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -81.43 39.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.564 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 86.2 m -134.74 14.25 3.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.529 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 14.6 mt -137.34 152.88 74.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.75 -178.8 17.51 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.387 -0.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.472 HG21 ' CE2' ' A' ' 85' ' ' PHE . 7.6 m -146.45 138.69 25.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 69.9 mt -144.51 143.54 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.472 ' CE2' HG21 ' A' ' 83' ' ' THR . 76.9 m-85 -144.53 133.33 22.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.2 t -109.09 131.91 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 24.1 m-85 -125.76 132.63 52.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -112.67 -59.76 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -125.7 42.28 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.74 24.68 37.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.56 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 12.5 pt20 -130.77 -174.69 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.1 mt -109.57 84.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.564 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 41.4 mm-40 -53.59 -36.74 62.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.74 139.43 5.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 20.6 pttp -129.33 147.45 51.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.313 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.7 OUTLIER -138.54 108.18 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.417 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 4.2 mp -123.21 118.85 55.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 116.76 125.39 3.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 98' ' ' GLY . 91.4 mt -34.16 -56.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 111.11 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 103' ' ' GLY . 21.2 mt -58.78 -54.76 29.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.417 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 10.9 mt-10 -46.58 -33.97 4.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 7.4 m -92.21 28.18 1.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 100' ' ' ILE . . . 89.63 -37.38 3.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.48 171.56 20.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.484 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.9 pp -58.34 -15.75 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 111.112 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.484 ' N ' HD12 ' A' ' 105' ' ' ILE . 25.6 m120 -90.03 -13.51 35.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.9 tp -38.04 136.99 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.53 161.96 14.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.451 HD13 ' CG1' ' A' ' 54' ' ' VAL . 24.0 tp -53.88 -40.04 66.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.81 -46.67 62.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -48.06 -58.86 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.9 tp -56.02 -43.14 77.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -48.34 -35.96 13.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.7 t90 -70.86 -55.98 7.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.41 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 32.4 mttp -39.47 -47.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.46 -31.17 69.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 114' ' ' TRP . 4.2 t -73.91 -60.61 2.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -42.78 -34.45 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.0 t -72.79 -35.13 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 32' ' ' TRP . . . 118.24 3.08 15.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.509 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -71.12 -51.3 25.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 111.059 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.417 ' HB ' ' CE2' ' A' ' 59' ' ' PHE . 20.7 pt -128.12 -175.77 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -122.44 95.97 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.5 t -95.97 150.55 20.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -54.53 -46.91 73.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 127' ' ' GLU . 22.1 mt -50.31 109.37 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 126' ' ' LEU . 12.2 mt-10 -34.82 135.36 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -87.33 150.38 23.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 36.5 m120 59.88 42.73 15.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.6 t -86.55 -56.36 3.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -60.07 133.35 50.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -6.25 18.14 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.363 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.0 p -91.89 118.76 31.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 31.2 t -53.96 106.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -132.63 144.73 50.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 m -123.47 174.56 7.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.75 145.12 16.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 p -97.32 110.48 23.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -100.66 143.05 31.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.6 162.58 43.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -119.08 -37.91 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -103.49 -176.27 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.36 36.95 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.467 ' CG ' ' CZ ' ' A' ' 13' ' ' ARG . 7.2 pt-20 -168.58 162.06 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.8 tp -87.45 125.21 34.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.467 ' CZ ' ' CG ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -107.59 176.43 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -130.59 138.81 50.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 46.0 pt -135.68 169.3 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.0 m -106.12 178.33 4.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.96 -48.67 84.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -62.39 -30.12 70.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' TYR . 56.5 mt-30 -80.83 -36.13 31.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.508 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 2.4 t80 -35.92 -49.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.457 ' CG1' ' HB ' ' A' ' 25' ' ' THR . 98.7 t -69.19 -71.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -41.97 -23.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 7.0 mm-40 -96.2 -75.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.2 t -61.88 -52.83 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.457 ' HB ' ' CG1' ' A' ' 21' ' ' VAL . 87.6 m -63.89 -70.39 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.437 ' ND2' HG21 ' A' ' 25' ' ' THR . 3.7 m120 -82.49 36.43 0.48 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 23' ' ' GLU . . . -61.18 176.19 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -57.37 169.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 30' ' ' ASP . 44.1 tttm -65.29 135.22 55.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' LYS . 5.1 p-10 36.39 47.59 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 tp -112.35 135.83 52.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.554 ' CE3' ' HA ' ' A' ' 121' ' ' ALA . 68.7 m95 -87.02 128.27 35.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.6 t -128.95 106.09 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.7 t -98.3 104.41 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.167 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.2 tt -99.95 153.73 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 38' ' ' TYR . 7.9 t-80 -138.05 116.81 12.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.818 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.3 mt -80.35 86.7 5.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.548 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 26.9 p90 -82.03 160.03 23.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.454 ' HB3' ' CG2' ' A' ' 42' ' ' VAL . 17.8 ttt180 -147.31 121.28 9.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.5 p -51.08 -25.87 5.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 m -87.59 20.41 2.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.82 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 39' ' ' ARG . 45.2 t -136.81 122.38 13.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.742 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -42.88 2.99 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.412 ' O ' ' CG1' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -54.86 -45.51 74.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 84.3 m -51.47 -36.65 45.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.8 mt -51.95 -66.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 44' ' ' MET . 2.1 p -52.7 -39.64 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.8 t -55.69 -46.67 79.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.99 -42.89 95.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -52.0 -44.2 64.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -68.93 -42.46 76.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.634 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.07 -27.35 65.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.8 t -65.8 -52.49 50.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.5 p -76.26 -32.21 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.1 mt -66.55 -17.81 65.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.482 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . . . -80.71 -38.34 29.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.38 -17.45 28.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -81.31 -39.51 25.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -120.61 89.48 44.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.728 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -20.1 35.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -68.93 -37.45 78.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 87.9 m -90.61 137.41 32.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.164 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -93.61 114.1 26.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 65.6 m-85 -100.56 135.5 41.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.77 137.0 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -112.02 127.88 56.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.41 129.54 16.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.6 mt -67.01 146.49 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.2 p -83.73 44.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.149 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -88.05 124.61 33.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.4 t 50.36 40.96 23.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.2 t -105.5 -55.3 2.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 21.3 mm -126.87 144.01 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -88.67 -43.17 11.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.412 ' CD2' ' H ' ' A' ' 75' ' ' HIS . 23.3 m-70 -46.44 -50.82 16.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -42.02 113.88 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.454 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 13.1 p80 -114.27 -50.94 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 13.5 t70 -173.89 175.23 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 45.37 48.49 10.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 34.3 m -122.31 -41.92 2.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.535 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 6.7 mt -81.26 151.01 68.95 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.641 0.734 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.0 Cg_endo -69.7 169.83 61.2 Favored 'Cis proline' 0 C--O 1.231 0.175 0 C-N-CA 122.734 -1.778 . . . . 0.0 112.363 -0.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.491 HG21 ' CE2' ' A' ' 85' ' ' PHE . 87.6 m -148.02 140.28 24.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.427 ' N ' HG23 ' A' ' 83' ' ' THR . 73.7 mt -137.63 148.61 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.491 ' CE2' HG21 ' A' ' 83' ' ' THR . 65.5 m-85 -145.15 123.52 12.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.0 t -101.01 135.44 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -125.82 136.21 52.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.552 ' HG3' ' CZ2' ' A' ' 32' ' ' TRP . 1.3 tmtt? -121.66 -62.23 1.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -116.21 41.7 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.55 18.48 68.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -127.8 -175.05 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.4 mt -105.22 94.65 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.481 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 44.7 mm-40 -61.54 -39.13 89.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.1 142.56 7.82 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.434 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -128.3 146.06 50.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 3.4 m-85 -133.81 103.19 5.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.8 mp -114.78 123.18 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.29 135.96 6.91 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 104' ' ' GLY . 89.6 mt -48.18 -41.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 111.149 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.6 mt -69.94 -46.91 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.82 -32.74 70.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 10.9 m -82.67 -7.74 59.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.68 -37.0 2.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.508 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 99' ' ' ILE . . . 115.21 163.67 14.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.47 HD11 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -59.35 -16.19 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.334 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.47 ' N ' HD11 ' A' ' 105' ' ' ILE . 7.8 p30 -102.5 10.62 38.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.3 tp -51.43 134.8 28.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.12 141.32 34.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.6 tp -40.58 -33.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -70.97 -47.41 59.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -49.62 -55.45 13.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.4 tp -59.82 -44.38 94.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -47.3 -30.5 3.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.473 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.0 t90 -81.04 -52.79 7.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.501 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 23.0 mttm -40.06 -49.92 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.5 mt -67.16 -30.11 70.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.4 t -74.08 -62.89 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -40.71 -25.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 117' ' ' SER . 79.8 t -80.12 -39.76 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 125.92 0.37 7.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.554 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -70.59 -39.58 73.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.31 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 36.9 pt -140.81 -175.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.46 ' O ' ' CD ' ' A' ' 123' ' ' GLN . 2.4 pp0? -129.04 88.64 2.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.5 p -72.27 -176.2 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -118.66 -23.59 7.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.3 mp -38.46 145.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.498 ' O ' ' C ' ' A' ' 128' ' ' GLU . 13.7 pt-20 -42.01 164.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 127' ' ' GLU . 35.8 mt-10 30.5 53.55 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -70.51 -53.52 15.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 92.0 p -148.42 -176.03 5.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -81.09 174.71 54.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.523 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -23.54 30.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.363 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.6 m -52.21 172.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 33.0 t -161.23 137.44 8.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.523 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.9 m -63.52 164.33 9.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.3 p -127.34 94.3 3.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.26 92.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 m -137.46 109.09 7.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.884 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.2 p -56.72 -64.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.84 138.28 7.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -117.71 -42.2 2.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -102.62 -175.34 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.27 39.85 0.13 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -174.82 173.5 2.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.4 tp -99.41 127.43 45.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -118.57 169.12 10.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -121.02 150.24 41.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.45 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 16.2 pt -137.48 172.13 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -100.19 179.01 4.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -60.27 -74.82 0.32 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.54 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -39.16 -34.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.309 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 20' ' ' TYR . 28.4 mm100 -72.95 -40.26 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 2.2 t80 -34.15 -50.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 23' ' ' GLU . 88.8 t -68.97 -67.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -43.86 -22.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.463 ' O ' ' CA ' ' A' ' 27' ' ' ALA . 9.5 mm-40 -101.81 -74.63 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.447 HG11 ' CG ' ' A' ' 87' ' ' TYR . 22.9 t -56.1 -54.07 31.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.0 m -65.15 -67.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -82.3 35.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.463 ' CA ' ' O ' ' A' ' 23' ' ' GLU . . . -62.8 161.61 12.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.072 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 4.1 tp10 -50.53 157.31 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 14.4 ttmm -61.15 149.76 36.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER 36.74 44.83 0.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tp -123.14 131.99 53.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.52 ' CE2' ' HD3' ' A' ' 88' ' ' LYS . 79.3 m95 -91.93 128.26 37.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.7 t -119.74 94.86 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.9 t -85.96 102.27 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.8 tt -99.84 147.35 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -126.77 118.94 25.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.3 mt -96.78 119.06 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -117.35 145.93 43.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' SER . 28.0 ttt180 -110.17 23.79 13.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t 39.62 25.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 39' ' ' ARG . 4.0 m -127.49 -23.09 3.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.2 t -103.09 133.35 20.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.635 0.731 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -41.34 4.33 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.12 -47.65 34.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 84.2 m -55.53 -50.86 68.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.9 mt -44.34 -52.4 7.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 82.2 t -61.47 -44.25 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.5 t -50.34 -42.91 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -64.92 -39.88 94.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -50.09 -51.62 41.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' LEU . 14.2 m-70 -65.46 -50.55 64.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.622 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' HIS . 18.8 mt -36.91 -36.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.954 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -66.23 -51.57 56.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.73 -36.4 77.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.8 mt -74.96 -27.81 60.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.555 ' HA ' ' CE1' ' A' ' 64' ' ' PHE . . . -64.38 -44.18 92.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 ptm85 -77.31 -37.64 52.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -64.53 -48.17 76.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.452 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 54.4 m-85 -108.9 93.96 13.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.673 0.749 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -33.82 15.78 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.268 . . . . 0.0 112.355 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -55.87 -51.09 68.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.486 HG22 ' CZ ' ' A' ' 64' ' ' PHE . 98.6 m -68.53 132.12 46.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -98.07 99.13 10.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.555 ' CE1' ' HA ' ' A' ' 56' ' ' ALA . 22.0 m-85 -87.66 130.96 34.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.4 m -140.19 142.16 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -104.68 139.05 40.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -164.53 133.64 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 69' ' ' VAL . 42.2 mt -78.38 147.33 7.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.452 ' N ' HG23 ' A' ' 68' ' ' ILE . 12.0 p -105.85 43.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -86.33 -45.88 10.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 72' ' ' CYS . 23.3 t -93.54 -44.42 8.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 71' ' ' SER . 5.4 t -34.65 -44.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.418 HG22 ' CG2' ' A' ' 69' ' ' VAL . 14.6 tt -147.81 141.49 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -111.81 43.17 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -114.53 -44.64 3.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -38.57 107.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.499 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 14.8 p80 -98.83 -53.9 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.499 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 24.6 t0 -173.17 175.58 3.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 53.84 43.37 31.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 87.1 m -128.17 -62.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.542 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 3.2 mt -60.52 142.64 90.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.727 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.75 165.42 76.64 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.684 -1.799 . . . . 0.0 112.356 -0.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.7 m -140.11 125.97 19.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.442 HG23 ' N ' ' A' ' 85' ' ' PHE . 35.5 mt -138.19 139.5 41.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.442 ' N ' HG23 ' A' ' 84' ' ' ILE . 66.1 m-85 -134.06 129.38 35.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.9 t -100.29 120.95 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CE1' ' CD1' ' A' ' 92' ' ' ILE . 10.3 m-85 -108.97 127.72 54.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.52 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 37.6 tptt -112.23 -54.81 2.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -129.2 42.14 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.71 26.45 50.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -142.25 173.67 11.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.769 0.318 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.582 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 45.5 mm -90.76 99.27 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.458 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 77.6 mm-40 -78.15 -34.12 49.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.11 126.69 1.71 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -115.54 140.5 49.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -130.89 86.99 2.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.458 HD11 ' N ' ' A' ' 97' ' ' ILE . 4.9 mp -106.23 117.19 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.14 129.79 5.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.464 ' N ' ' HD2' ' A' ' 82' ' ' PRO . 82.4 mt -37.56 -48.98 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 0.0 111.12 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.0 mt -59.6 -55.63 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -49.48 -36.97 24.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.407 ' C ' ' HE3' ' A' ' 115' ' ' LYS . 1.8 m -74.76 -22.36 58.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.53 -35.32 2.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.526 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 107' ' ' LEU . . . 115.81 151.97 9.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.533 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.473 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.3 pp -42.34 -27.76 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.351 . . . . 0.0 111.121 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.473 ' N ' HD12 ' A' ' 105' ' ' ILE . 20.5 m120 -85.33 22.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 104' ' ' GLY . 42.2 tp -55.79 108.44 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -82.06 144.9 30.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.1 tp -41.58 -39.0 1.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -80.93 -43.08 20.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -43.79 -54.35 5.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.8 tp -63.42 -42.77 98.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -45.84 -41.55 11.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.49 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.9 t90 -65.48 -55.91 15.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.407 ' HE3' ' C ' ' A' ' 102' ' ' CYS . 14.3 mttm -38.46 -52.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.9 mt -64.11 -31.89 73.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 114' ' ' TRP . 7.4 t -71.62 -61.27 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -41.36 -32.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.5 t -74.4 -39.17 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 123.85 3.08 8.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.513 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -71.52 -45.51 62.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.452 ' HB ' ' CE2' ' A' ' 59' ' ' PHE . 26.9 pt -135.54 -179.95 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -125.49 97.96 5.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.0 p -97.96 157.11 16.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -57.7 -43.95 85.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 127' ' ' GLU . 14.3 mt -51.45 126.98 18.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 126' ' ' LEU . 15.9 pt-20 -34.47 128.36 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -116.67 164.84 14.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -73.83 -59.81 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 19.7 m -161.39 170.66 19.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -137.24 153.66 22.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 128.25 15.81 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.394 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 58.3 m -47.39 110.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 22.6 m -81.23 173.87 12.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -161.47 174.81 12.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -144.81 176.61 9.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.78 138.15 8.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -103.92 85.39 2.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.901 0.381 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 t -174.54 125.56 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.463 ' CA ' ' HB2' ' A' ' 60' ' ' PRO . . . -142.53 159.47 27.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.569 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 7.6 ptpp? -119.06 -40.72 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.569 ' CD1' ' HG3' ' A' ' 8' ' ' LYS . 4.4 m-85 -107.26 -71.38 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.12 51.23 24.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -175.12 131.73 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.4 tp -68.52 117.35 10.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -109.87 168.79 9.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -125.13 129.59 50.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 22.5 pt -116.65 170.23 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 t -107.65 177.06 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -52.35 -77.11 0.15 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -39.13 -35.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 20' ' ' TYR . 40.8 mt-30 -73.33 -39.16 65.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.521 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 1.7 t80 -34.2 -51.36 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.463 HG13 ' CB ' ' A' ' 25' ' ' THR . 94.0 t -70.39 -67.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -43.7 -22.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 21' ' ' VAL . 5.8 mm-40 -99.99 -75.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.6 t -57.79 -57.51 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.463 ' CB ' HG13 ' A' ' 21' ' ' VAL . 37.8 m -59.94 -67.32 0.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -81.13 37.6 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.475 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -66.34 156.78 33.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 35.2 tp10 -46.15 157.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 18.2 tptp -59.7 138.06 57.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 44.04 38.84 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.5 tp -110.12 115.85 30.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.524 ' CE2' ' HE2' ' A' ' 88' ' ' LYS . 61.9 m95 -73.0 125.31 27.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.475 HG22 ' CB ' ' A' ' 27' ' ' ALA . 98.9 t -123.81 107.52 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.4 t -98.68 105.07 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.4 tt -101.21 144.41 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -130.7 94.37 3.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.66 103.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -99.63 129.21 45.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -99.32 15.16 27.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m 39.97 25.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 39' ' ' ARG . 38.3 m -132.3 -29.26 1.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 t -79.34 134.22 59.03 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.649 0.737 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -19.99 35.18 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.25 . . . . 0.0 112.303 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -57.21 3.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.9 p -44.34 -40.53 5.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 65.9 mt -51.67 -46.22 63.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.966 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.5 t -69.16 -41.48 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.119 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 45.2 t -56.45 -45.61 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.88 -44.7 82.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -48.8 -46.05 41.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.461 ' ND1' HD13 ' A' ' 109' ' ' LEU . 12.3 m-70 -70.29 -48.99 54.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.644 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.5 mt -45.05 -37.81 4.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.1 t -54.12 -57.18 12.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 55' ' ' LEU . 10.5 p -71.24 -34.54 54.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' N ' HG12 ' A' ' 54' ' ' VAL . 37.5 mt -62.58 -18.99 63.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.48 -43.56 31.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -80.05 -39.16 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -62.11 -48.83 78.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.51 ' CD1' ' HB ' ' A' ' 122' ' ' ILE . 55.9 m-85 -117.76 88.78 31.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.659 0.742 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.463 ' HB2' ' CA ' ' A' ' 7' ' ' GLY . 53.3 Cg_endo -69.81 -32.78 17.69 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -52.38 -41.48 63.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.4 m -81.21 126.03 31.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.2 tttm -86.52 107.35 18.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -95.95 139.97 31.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.3 m -151.34 128.29 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -105.58 120.2 41.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.86 165.94 21.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.6 mt -105.31 146.2 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.416 ' CG1' ' O ' ' A' ' 69' ' ' VAL . 53.2 t -76.82 50.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -85.24 116.44 23.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.2 t 40.83 40.26 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.5 t -96.95 -45.8 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.4 mt -137.3 113.48 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.48 42.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 54.7 m170 -131.37 -45.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -48.77 130.87 18.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.447 ' CG ' ' H ' ' A' ' 78' ' ' ASP . 9.0 p80 -125.02 -56.32 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.447 ' H ' ' CG ' ' A' ' 77' ' ' HIS . 13.3 t70 -162.72 -179.29 6.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 42.59 43.65 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 8.8 p -121.72 -38.82 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.539 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 3.9 mt -85.7 148.72 49.52 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.59 0.709 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.76 164.97 77.86 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.36 -0.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.572 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 41.5 m -135.6 129.34 32.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.4 mt -140.56 132.39 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.572 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 73.3 m-85 -134.5 127.51 31.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.2 t -99.6 122.78 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 37.6 m-85 -120.65 130.08 53.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.524 ' HE2' ' CE2' ' A' ' 32' ' ' TRP . 15.2 ttmt -107.5 -64.07 1.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -123.69 39.59 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.52 21.64 33.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.602 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 13.0 pt20 -126.59 -178.54 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.922 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 75.3 mt -107.8 86.14 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -58.36 -34.49 70.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -171.95 134.03 2.9 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -119.03 146.62 44.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 4.1 m-85 -134.89 101.16 4.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.456 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 5.3 mp -120.38 115.65 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 117.42 128.2 4.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.517 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 98' ' ' GLY . 91.3 mt -37.34 -58.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 111.098 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.4 mp -58.63 -51.76 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 9.6 mt-10 -46.71 -36.41 7.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 10.4 t -94.21 30.01 2.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.466 ' N ' ' HE3' ' A' ' 115' ' ' LYS . . . 90.68 -44.3 2.89 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 112.23 175.85 19.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.459 HD11 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -59.65 -13.07 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 111.154 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.459 ' N ' HD11 ' A' ' 105' ' ' ILE . 72.2 m-20 -92.49 -11.84 33.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 106' ' ' ASN . 61.2 tp -35.31 109.27 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -80.31 160.68 25.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.461 HD13 ' ND1' ' A' ' 51' ' ' HIS . 44.8 tp -54.28 -40.57 67.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -79.75 -39.47 30.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -48.95 -56.49 8.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 70.2 tp -58.24 -44.15 88.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -42.44 -38.87 2.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.49 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.6 t90 -70.08 -54.22 14.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.466 ' HE3' ' N ' ' A' ' 103' ' ' GLY . 16.9 mttm -40.35 -45.14 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.8 mt -72.75 -29.43 63.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 114' ' ' TRP . 8.6 t -74.57 -60.32 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -40.94 -29.94 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 92.7 t -76.4 -40.39 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.457 ' HA3' ' CH2' ' A' ' 32' ' ' TRP . . . 123.81 6.15 7.28 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.52 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -76.77 -48.49 18.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.51 ' HB ' ' CD1' ' A' ' 59' ' ' PHE . 10.4 pt -131.32 -177.84 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.161 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.607 ' N ' ' NE2' ' A' ' 123' ' ' GLN . 1.7 mp0 -119.38 97.68 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.3 p -82.38 142.16 32.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -58.1 -45.57 87.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 127' ' ' GLU . 51.4 mt -45.51 109.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 126' ' ' LEU . 1.1 pm0 -34.53 129.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -72.43 156.36 39.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -120.27 -50.66 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.3 t -135.73 143.96 45.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 147.97 129.55 1.89 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 90.14 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 86.8 p -81.43 42.86 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.4 m -75.69 -47.74 24.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 m -126.82 118.53 24.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 0.0 110.893 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -50.03 158.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.71 -50.78 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -108.57 144.46 36.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.843 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -71.95 163.65 27.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.28 146.15 2.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -82.84 -44.74 15.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.808 0.337 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -107.45 -176.4 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.47 43.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.441 ' CA ' ' HB2' ' A' ' 56' ' ' ALA . 13.9 pt-20 -174.39 176.69 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.3 tp -110.99 118.09 35.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -109.36 173.55 6.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -126.23 143.55 51.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.0 pt -135.27 171.98 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -104.99 167.39 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -48.27 -60.15 5.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.52 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -50.61 -35.45 30.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -75.92 -33.74 59.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -38.5 -51.58 1.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 23' ' ' GLU . 66.0 t -69.63 -71.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -41.63 -23.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' VAL . 17.9 mm-40 -94.65 -73.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 19.9 t -66.65 -71.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.434 ' HB ' ' CG1' ' A' ' 21' ' ' VAL . 31.9 m -41.13 -64.56 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -81.67 35.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 24' ' ' VAL . . . -74.86 174.7 8.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.454 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -53.27 176.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.486 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 22.5 ttpt -84.84 -69.63 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -85.96 43.49 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 6.1 tp -121.9 149.92 42.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.533 ' CZ2' ' HG3' ' A' ' 88' ' ' LYS . 73.4 m95 -113.07 107.33 15.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.9 t -102.44 115.75 44.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.7 t -111.24 109.57 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.4 tt -100.5 152.64 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -141.38 108.87 5.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mt -71.78 91.36 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -95.22 151.66 19.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 9.6 mtp-105 -148.82 128.12 12.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.2 t -49.33 -24.98 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 t -70.4 -34.28 72.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.9 t -90.75 116.25 65.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 111.158 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -18.62 36.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.404 ' HE2' ' C ' ' A' ' 104' ' ' GLY . 0.0 OUTLIER -72.23 -49.76 32.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.2 p -48.94 -29.43 4.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.0 mt -53.66 -63.55 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 48' ' ' VAL . 7.2 p -59.05 -33.83 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.438 ' N ' HG12 ' A' ' 47' ' ' VAL . 59.1 t -67.58 -37.25 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -69.46 -36.3 76.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -59.18 -40.35 85.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.461 ' HA ' ' CD1' ' A' ' 109' ' ' LEU . 5.1 m-70 -69.17 -49.48 56.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.579 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.8 mt -51.81 -32.65 32.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.5 t -60.24 -53.96 51.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.467 HG11 ' N ' ' A' ' 55' ' ' LEU . 11.9 p -75.28 -27.94 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' N ' HG11 ' A' ' 54' ' ' VAL . 63.3 mt -67.76 -19.35 65.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.441 ' HB2' ' CA ' ' A' ' 11' ' ' GLU . . . -72.4 -42.76 64.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.093 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 7.8 ptm180 -78.55 -36.04 45.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 31.1 tttp -63.77 -47.94 78.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -118.28 87.17 29.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 -28.76 24.48 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.691 2.261 . . . . 0.0 112.301 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -61.2 -48.41 81.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.4 m -78.15 126.54 30.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -74.06 140.37 45.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -130.4 118.23 20.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.6 m -144.54 163.28 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 pmtp? -145.1 155.1 43.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.04 132.27 16.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.054 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.2 mt -74.53 123.76 30.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.46 ' CG1' ' O ' ' A' ' 69' ' ' VAL . 92.9 t -75.65 55.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -84.0 -41.92 16.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.7 m -104.83 -40.06 6.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.403 ' C ' HG13 ' A' ' 73' ' ' ILE . 26.1 m -38.33 -58.67 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 74' ' ' GLU . 40.3 mt -153.97 139.63 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.404 ' N ' HG21 ' A' ' 73' ' ' ILE . 3.9 tt0 -80.1 -36.29 35.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -75.92 47.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -134.98 95.36 3.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.424 ' CG ' ' H ' ' A' ' 78' ' ' ASP . 4.6 p80 -132.79 -66.47 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.424 ' H ' ' CG ' ' A' ' 77' ' ' HIS . 7.0 t0 -132.9 -42.02 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -37.79 -48.74 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 10.5 p -102.41 -50.21 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.531 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 79.0 mt -67.67 148.7 98.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.623 0.725 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.7 143.33 73.45 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 -1.784 . . . . 0.0 112.364 -0.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 84' ' ' ILE . 86.2 m -120.9 144.99 48.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.417 ' N ' HG23 ' A' ' 83' ' ' THR . 87.6 mt -146.09 134.64 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 95' ' ' LYS . 40.3 m-85 -136.45 141.0 43.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.4 t -115.09 132.43 64.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -125.1 130.79 52.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.533 ' HG3' ' CZ2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -111.58 -61.87 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 29' ' ' LYS . 17.6 m120 -119.82 38.58 3.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.76 2.56 75.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 92' ' ' ILE . 1.5 tp-100 -118.6 152.21 36.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.746 0.308 . . . . 0.0 110.928 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.507 ' N ' ' OE1' ' A' ' 91' ' ' GLN . 93.7 mt -75.01 106.74 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.524 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 36.6 mm-40 -78.33 -34.65 48.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.21 133.47 2.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.503 ' HB3' ' CE2' ' A' ' 85' ' ' PHE . 45.4 pttt -122.65 152.26 40.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.358 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.403 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 11.4 m-85 -138.52 111.37 7.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.451 HD13 ' N ' ' A' ' 97' ' ' ILE . 5.1 mp -123.09 128.87 75.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.09 149.82 19.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.456 HD13 ' CD ' ' A' ' 82' ' ' PRO . 22.2 mm -52.54 -66.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 103' ' ' GLY . 22.6 mt -49.93 -55.72 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -46.85 -32.11 3.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 32.6 t -94.61 29.22 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 100' ' ' ILE . . . 88.57 -41.98 3.06 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.404 ' C ' ' HE2' ' A' ' 44' ' ' MET . . . 108.24 166.34 21.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.556 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.462 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -55.16 -18.62 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.794 0.33 . . . . 0.0 111.115 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.462 ' N ' HD12 ' A' ' 105' ' ' ILE . 23.1 m-20 -101.14 24.1 9.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.463 HD11 ' N ' ' A' ' 112' ' ' LEU . 3.7 tp -72.28 121.86 20.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -83.75 171.18 13.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' A' ' 51' ' ' HIS . 11.6 tp -65.0 -34.98 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.26 -45.27 20.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -44.99 -53.23 7.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.463 ' N ' HD11 ' A' ' 107' ' ' LEU . 55.6 tp -63.16 -44.2 96.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -44.17 -42.53 6.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.429 ' O ' ' N ' ' A' ' 117' ' ' SER . 20.0 t90 -61.19 -54.41 44.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.403 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 14.8 mttm -40.31 -51.04 2.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.18 -33.29 75.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 120' ' ' GLY . 10.7 t -72.77 -63.17 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -39.89 -32.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.2 t -74.43 -39.33 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 121.83 6.7 8.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.525 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -75.34 -42.72 53.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 111.119 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 32.9 pt -136.52 -179.55 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -115.51 104.21 11.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.1 p -106.99 156.28 18.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -77.63 -43.99 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 55.6 mt -39.19 140.36 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -82.29 170.67 15.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? -103.05 132.2 49.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -82.43 -61.38 1.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.3 p 49.38 41.89 21.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 71.05 145.36 0.34 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -17.57 37.57 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.73 2.287 . . . . 0.0 112.34 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 68.6 m 44.78 41.33 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.0 t -89.45 108.22 19.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -128.7 -54.12 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 t -52.53 -49.88 63.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.11 -176.69 23.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.6 m -93.44 135.65 34.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.359 . . . . 0.0 110.854 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -118.22 131.18 56.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.462 ' CA ' ' HB2' ' A' ' 60' ' ' PRO . . . -51.28 174.23 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -116.72 -56.17 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -112.16 -70.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.85 43.43 7.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -174.99 143.81 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.2 tp -80.0 121.71 25.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 mtt-85 -110.56 -176.56 3.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -142.4 115.8 9.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.0 pt -109.02 166.62 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 m -97.74 164.59 12.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.69 -30.79 66.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -66.2 -40.7 90.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -89.89 -1.64 58.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.443 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 4.9 t80 -55.39 -54.54 42.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.462 HG13 ' CB ' ' A' ' 25' ' ' THR . 99.6 t -65.72 -59.72 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.183 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -47.19 -22.05 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -100.9 -75.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.472 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 76.4 t -60.17 -72.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.462 ' CB ' HG13 ' A' ' 21' ' ' VAL . 87.0 m -39.47 -67.78 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -83.44 33.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 24' ' ' VAL . . . -65.12 151.15 46.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.109 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.462 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 9.3 tp10 -41.86 159.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 44.4 tttt -63.47 -75.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.63 48.87 0.97 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.462 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 6.6 tp -130.15 136.92 49.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.551 ' CZ2' ' HE3' ' A' ' 88' ' ' LYS . 84.8 m95 -103.58 107.94 19.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.0 t -102.57 104.66 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 96.9 t -103.84 102.04 13.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.415 HD12 ' CE2' ' A' ' 20' ' ' TYR . 15.4 tt -94.0 152.71 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -140.11 112.25 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 mt -79.64 86.38 5.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -79.55 150.51 31.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.965 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -146.08 121.29 10.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.8 p -49.53 -21.42 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 t -78.67 9.92 3.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.0 t -133.07 121.59 16.88 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.566 0.698 . . . . 0.0 111.084 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -30.49 22.28 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.496 ' SD ' ' CG1' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -64.67 -51.16 63.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 96.8 m -42.58 -35.92 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.5 mt -49.61 -64.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.496 ' CG1' ' SD ' ' A' ' 44' ' ' MET . 6.8 p -59.21 -36.26 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.461 ' N ' HG13 ' A' ' 47' ' ' VAL . 46.5 t -57.55 -46.61 86.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -62.77 -43.83 97.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -53.56 -52.04 60.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.526 ' CE1' ' HB2' ' A' ' 109' ' ' LEU . 22.7 m-70 -61.41 -45.31 94.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.623 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.5 mt -47.75 -41.16 22.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.6 t -54.68 -57.65 10.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.3 t -61.68 -42.55 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.6 mt -64.73 -18.41 65.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.43 -34.23 41.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.413 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 1.8 ptm85 -91.64 -17.16 25.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -82.93 -45.96 13.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -117.91 88.4 30.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.715 0.769 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.462 ' HB2' ' CA ' ' A' ' 7' ' ' GLY . 53.9 Cg_endo -69.75 -24.7 29.41 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -60.5 -28.55 68.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.546 HG22 ' CE1' ' A' ' 64' ' ' PHE . 98.9 m -92.72 130.51 38.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -90.55 101.31 14.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.546 ' CE1' HG22 ' A' ' 62' ' ' THR . 55.0 m-85 -93.45 134.28 35.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.9 m -146.73 129.89 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -98.83 128.84 45.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.69 122.2 14.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 34.0 mt -55.36 148.43 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.463 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 7.3 p -80.01 44.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -100.09 117.98 35.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.0 m 59.3 31.02 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.8 t -114.25 -54.78 2.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.53 HG22 ' CE2' ' A' ' 76' ' ' TYR . 2.5 pp -73.7 169.59 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -87.31 -48.87 7.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.464 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 1.3 p80 -159.45 106.16 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.53 ' CE2' HG22 ' A' ' 73' ' ' ILE . 3.1 m-30 -115.32 139.65 49.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.546 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 21.2 p-80 -134.67 -49.7 0.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.546 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 6.6 t70 -170.47 174.03 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 50.62 42.12 26.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.5 m -122.77 -57.3 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.536 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 4.9 mt -80.55 148.77 66.83 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.597 0.713 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.75 159.9 88.88 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.364 -0.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 54.5 m -136.39 118.5 15.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.0 mt -124.52 136.08 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -129.75 135.24 48.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.4 t -111.25 118.25 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -114.2 126.15 54.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.551 ' HE3' ' CZ2' ' A' ' 32' ' ' TRP . 0.8 OUTLIER -102.01 -67.61 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.935 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 10.1 m-80 -119.31 30.71 6.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 99.92 16.93 26.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -130.14 151.86 50.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.1 mt -75.65 88.63 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.61 -32.99 74.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -163.99 138.06 5.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -132.18 145.05 51.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.527 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 54.1 m-85 -134.46 103.0 5.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.411 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 4.8 mp -118.61 117.53 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 120.5 143.44 6.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.401 ' CD1' ' HB2' ' A' ' 44' ' ' MET . 42.7 mm -49.6 -51.96 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.784 0.326 . . . . 0.0 111.126 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.3 mt -69.33 -40.79 80.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 14.5 mt-10 -58.43 -31.43 67.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 2.5 t -90.0 1.62 56.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.32 -35.09 4.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.08 155.89 18.68 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.477 ' CD1' ' N ' ' A' ' 106' ' ' ASN . 2.5 pp -49.25 -23.95 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.882 0.373 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.477 ' N ' ' CD1' ' A' ' 105' ' ' ILE . 3.7 p30 -97.11 25.41 5.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.411 ' CD2' ' HB2' ' A' ' 112' ' ' LEU . 57.5 tp -70.82 123.05 21.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -81.18 176.55 9.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.526 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 5.5 tp -76.6 -28.2 56.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -81.97 -49.58 10.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -49.52 -52.62 28.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.411 ' HB2' ' CD2' ' A' ' 107' ' ' LEU . 41.2 tp -58.07 -40.12 80.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -51.15 -39.87 57.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.3 t90 -60.12 -56.41 21.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.527 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 29.9 mttp -39.73 -47.85 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.9 mt -67.5 -31.19 71.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 114' ' ' TRP . 5.4 t -76.16 -62.28 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -40.79 -30.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.6 t -80.36 -36.91 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.175 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 124.26 -4.89 8.87 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.501 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.45 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -61.5 -35.62 78.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 111.111 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 38.3 pt -146.42 176.64 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.546 ' NE2' ' H ' ' A' ' 123' ' ' GLN . 1.8 pm0 -119.26 91.5 3.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.8 p -96.22 175.01 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -114.8 30.05 7.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 20.5 mt -106.09 113.6 27.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -155.73 151.9 27.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -111.57 97.84 7.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -75.66 75.12 2.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.2 t -172.81 128.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 76.12 -176.33 51.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 124.42 11.07 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.328 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.2 t -94.93 97.91 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 54.5 p -89.42 112.87 24.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 p -52.88 172.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 0.0 110.903 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -130.23 -60.69 1.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.22 96.57 1.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 m -157.14 142.04 16.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.884 0.373 . . . . 0.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 m -82.51 42.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.04 137.17 0.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -79.04 -57.36 3.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.949 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -95.96 -175.22 3.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.15 32.23 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -171.09 149.29 2.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.1 tp -74.76 124.81 27.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.96 -176.72 3.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -144.42 135.05 24.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.8 pt -134.74 168.69 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 m -103.21 -175.63 2.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.33 -67.9 1.91 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -47.12 -27.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -81.88 -37.84 26.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.537 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 1.5 t80 -38.63 -48.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 23' ' ' GLU . 83.6 t -68.56 -71.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -39.31 -25.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.489 ' O ' ' CA ' ' A' ' 27' ' ' ALA . 8.5 mm-40 -99.22 -75.03 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' TYR . 32.0 t -55.95 -50.44 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.421 ' CB ' HG13 ' A' ' 21' ' ' VAL . 85.2 m -68.55 -62.61 1.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -84.25 29.5 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.489 ' CA ' ' O ' ' A' ' 23' ' ' GLU . . . -57.51 172.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -62.63 162.37 10.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 30' ' ' ASP . 22.9 ttpt -63.9 144.39 57.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.422 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 0.9 OUTLIER 37.67 42.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 tp -113.08 127.13 56.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.56 ' CE3' ' HA ' ' A' ' 121' ' ' ALA . 88.7 m95 -80.08 120.36 24.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.6 t -119.56 107.69 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.4 t -107.4 105.78 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.411 HD11 ' CD2' ' A' ' 20' ' ' TYR . 13.9 tt -98.62 149.29 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 38' ' ' TYR . 5.1 t-80 -133.79 116.62 15.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.45 HD13 ' CG2' ' A' ' 83' ' ' THR . 10.4 mt -80.52 91.26 5.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.479 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 5.9 p90 -90.48 147.1 23.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.45 ' HG3' ' CD1' ' A' ' 81' ' ' LEU . 5.6 mmt85 -138.38 129.18 26.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 t -58.55 -15.82 12.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.0 t -84.81 -27.41 26.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.1 t -91.71 119.72 68.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -19.92 35.55 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.748 2.299 . . . . 0.0 112.298 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -53.78 12.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 9.1 p -44.55 -26.12 0.33 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.4 mt -58.79 -62.42 1.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.4 p -59.69 -28.75 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.0 t -69.79 -37.61 73.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -67.6 -34.49 77.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -60.2 -50.28 74.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -68.58 -50.99 47.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.614 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.0 mt -43.95 -39.81 4.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -61.51 -44.37 97.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 81.7 t -72.33 -38.43 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.9 mt -64.11 -25.0 67.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.69 -46.5 65.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -77.17 -24.11 51.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -76.72 -46.7 24.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.565 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 65.0 m-85 -114.47 86.63 12.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.678 0.751 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -19.88 35.84 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -67.64 -35.86 79.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 90.9 m -89.73 131.91 35.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.09 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -90.61 107.92 19.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -94.32 136.65 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.8 m -144.54 140.68 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -117.87 121.55 41.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.83 132.88 35.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 69' ' ' VAL . 3.5 mp -71.37 152.34 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' SER . 38.5 t -81.75 41.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -62.84 75.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 69' ' ' VAL . 10.3 t 66.56 52.76 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.7 t -92.63 -53.37 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.544 HD12 ' CE1' ' A' ' 76' ' ' TYR . 67.8 mt -118.87 140.75 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -73.0 -24.27 60.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -89.34 38.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.544 ' CE1' HD12 ' A' ' 73' ' ' ILE . 5.2 m-85 -131.51 114.24 14.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.532 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 12.8 p-80 -130.67 -47.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.532 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 6.1 t70 -173.54 167.84 4.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 53.69 36.77 24.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.68 -22.74 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.526 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 58.8 mt -98.29 154.54 37.59 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.591 0.71 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.75 172.37 49.27 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.625 -1.823 . . . . 0.0 112.374 -0.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.657 ' CG2' ' CZ ' ' A' ' 85' ' ' PHE . 52.8 m -148.41 125.76 11.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.6 mt -124.68 141.47 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.657 ' CZ ' ' CG2' ' A' ' 83' ' ' THR . 26.9 m-85 -139.58 127.17 21.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.4 t -105.75 129.9 58.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -120.82 130.71 54.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.554 ' HE2' ' CZ2' ' A' ' 32' ' ' TRP . 7.8 tppt? -100.42 -64.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -128.44 27.81 5.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 110.89 14.48 12.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -132.25 149.45 52.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 110.957 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 69.4 mt -75.58 91.83 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -64.78 -32.11 73.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.64 138.76 5.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.537 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.464 ' C ' ' CD1' ' A' ' 96' ' ' PHE . 43.3 pttt -129.76 155.76 45.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.8 m-85 -143.78 108.69 4.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.433 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 5.4 mp -120.7 124.83 73.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.2 145.66 9.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.8 mm -51.09 -57.15 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.317 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.6 mt -61.27 -50.23 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 11.6 mt-10 -50.77 -31.4 16.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 10.5 m -97.19 28.67 3.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 93.7 -44.87 2.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.92 162.52 23.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.483 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.433 HD13 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -51.19 -23.41 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.809 0.338 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.433 ' N ' HD13 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -100.1 25.14 7.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 37.9 tp -68.88 128.34 36.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -82.29 178.03 8.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.5 tp -83.41 -29.33 28.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -84.32 -35.09 23.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -57.97 -59.64 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.2 tp -55.96 -34.95 66.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -56.34 -25.64 49.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.489 ' O ' ' N ' ' A' ' 117' ' ' SER . 17.1 t90 -82.05 -50.57 8.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -39.53 -50.19 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 15.3 mt -66.93 -29.87 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 114' ' ' TRP . 2.0 t -72.92 -58.77 3.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -43.54 -28.56 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.7 t -83.44 -33.34 9.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.464 ' O ' ' CZ2' ' A' ' 32' ' ' TRP . . . 118.39 1.67 15.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.56 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -69.39 -33.08 72.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.714 0.293 . . . . 0.0 111.043 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.565 ' HB ' ' CE2' ' A' ' 59' ' ' PHE . 43.4 pt -146.19 -177.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.409 ' NE2' ' C ' ' A' ' 122' ' ' ILE . 6.0 mp0 -127.1 96.8 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.4 t -90.47 171.12 9.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -79.25 -34.59 42.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 127' ' ' GLU . 39.9 mt -60.59 112.09 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 126' ' ' LEU . 50.6 mm-40 -35.7 131.54 0.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -104.16 169.4 8.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -94.08 -49.77 5.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 12.0 p -40.56 -51.74 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 108.98 -126.17 8.03 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.73 46.0 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.252 . . . . 0.0 112.362 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.5 t -109.94 -53.37 2.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.7 t -108.22 136.16 48.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -69.31 130.52 42.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -115.17 136.18 53.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.36 175.38 31.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -150.26 124.75 9.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -154.7 157.82 38.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.11 175.25 29.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -105.66 8.48 33.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -129.25 -178.99 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.24 42.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -174.19 133.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.2 tp -68.49 115.0 7.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -107.92 176.35 5.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -132.45 128.79 38.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.7 pt -117.02 169.01 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.2 t -97.25 178.87 5.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -62.68 -72.04 0.72 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.432 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -42.27 -30.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' TYR . 79.6 mm-40 -74.51 -38.37 62.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.968 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.533 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 1.6 t80 -37.44 -46.34 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.41 ' C ' ' N ' ' A' ' 23' ' ' GLU . 94.7 t -68.68 -72.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -45.99 -20.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 21' ' ' VAL . 51.3 mm-40 -96.45 -75.16 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.2 t -59.89 -60.45 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.157 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.7 m -53.71 -59.22 4.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -83.13 31.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.76 161.01 30.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 4.7 tp10 -54.2 154.27 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -64.9 -66.11 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -82.82 48.72 1.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.459 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 4.7 tp -132.17 140.62 48.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.548 ' CE2' ' O ' ' A' ' 120' ' ' GLY . 96.2 m95 -103.03 100.98 10.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.453 ' CG2' HD22 ' A' ' 31' ' ' LEU . 67.8 t -96.09 105.19 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.5 t -104.04 108.49 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.413 HD13 ' CD2' ' A' ' 20' ' ' TYR . 8.5 tt -102.65 143.76 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.496 ' CE1' ' CG1' ' A' ' 48' ' ' VAL . 12.2 t-80 -131.96 104.31 6.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.2 mt -63.7 99.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.594 ' CZ ' ' CG1' ' A' ' 68' ' ' ILE . 24.9 p90 -87.91 154.39 20.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 42' ' ' VAL . 16.9 ttt85 -150.31 109.7 3.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.847 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.7 p -40.89 -27.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -87.81 30.78 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' ARG . 34.8 t -136.93 114.11 9.96 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.661 0.743 . . . . 0.0 111.096 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.469 ' HA ' ' CD1' ' A' ' 46' ' ' LEU . 54.6 Cg_endo -69.74 -27.01 27.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 0.0 112.396 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.468 ' O ' ' N ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -65.47 -70.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 44' ' ' MET . 40.4 t -32.22 -38.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 43' ' ' PRO . 95.2 mt -40.56 -59.32 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 p -67.23 -30.97 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.496 ' CG1' ' CE1' ' A' ' 36' ' ' HIS . 77.1 t -61.6 -45.27 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.427 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 4.3 t-20 -61.39 -36.9 81.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -55.15 -39.64 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.433 ' CG ' ' HA ' ' A' ' 109' ' ' LEU . 9.5 m-70 -79.93 -50.74 10.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.597 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.4 mt -47.82 -30.69 4.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.4 t -61.19 -58.03 10.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 55' ' ' LEU . 9.1 p -73.07 -26.87 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' N ' HG12 ' A' ' 54' ' ' VAL . 15.5 mt -68.26 -19.4 64.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.52 -40.49 35.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -83.17 -32.14 26.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.3 tttt -67.57 -47.32 70.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -118.6 90.67 40.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.597 0.713 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.85 29.23 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -56.24 -41.56 75.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.1 m -84.19 132.64 34.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.4 tttt -95.07 89.28 5.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -76.42 133.44 39.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.3 m -145.4 134.07 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.6 pttt -107.7 123.9 49.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.31 134.88 34.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.076 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.594 ' CG1' ' CZ ' ' A' ' 38' ' ' TYR . 16.7 mt -78.86 138.72 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.415 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 8.4 p -83.06 47.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -79.18 98.08 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.4 m 61.13 39.83 15.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.06 -47.23 8.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.9 tt -131.34 -1.9 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 42.14 41.63 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -124.0 -34.87 2.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -69.85 106.87 3.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.53 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 10.5 p-80 -101.37 -47.17 4.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.53 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 20.7 t70 -174.84 174.09 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 54.1 t30 47.94 50.0 16.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.2 m -132.71 -61.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.535 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 5.6 mt -59.98 150.91 67.59 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.573 0.701 . . . . 0.0 110.937 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.82 170.91 56.42 Favored 'Cis proline' 0 C--O 1.231 0.175 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.365 -0.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.541 HG21 ' CE2' ' A' ' 85' ' ' PHE . 52.0 m -146.04 125.82 13.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.9 mt -126.0 144.48 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.541 ' CE2' HG21 ' A' ' 83' ' ' THR . 41.3 m-85 -142.16 128.85 20.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.3 t -106.07 128.3 60.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 21.0 m-85 -122.8 132.95 54.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -130.67 -38.58 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -132.44 44.79 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 73.2 16.95 78.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.519 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.434 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 20.9 mm-40 -129.68 -174.6 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.918 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.9 mt -105.68 86.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.23 -34.62 61.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.71 129.97 2.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.453 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.6 pttt -120.38 145.14 47.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.6 m-85 -135.17 108.23 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 5.0 mp -122.11 128.63 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.72 137.23 8.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 76.3 mt -46.38 -52.3 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 0.0 111.1 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.5 mt -59.13 -53.09 52.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 97' ' ' ILE . 16.4 mt-10 -50.13 -35.88 27.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.1 m -90.97 27.38 1.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.21 -49.57 2.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 117.55 171.6 15.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.463 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -57.9 -15.76 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.463 ' N ' HD12 ' A' ' 105' ' ' ILE . 4.1 p30 -105.43 16.94 24.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.4 tp -57.66 130.25 45.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 163.14 13.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.433 ' HA ' ' CG ' ' A' ' 51' ' ' HIS . 26.0 tp -60.26 -38.96 85.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -74.22 -47.45 35.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -45.0 -55.88 5.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.02 -40.5 93.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -49.58 -40.79 39.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.491 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.5 t90 -69.12 -53.05 22.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -38.67 -50.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.09 -30.33 69.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 114' ' ' TRP . 9.6 t -72.03 -61.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -39.9 -34.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 69.1 t -75.15 -38.58 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.548 ' O ' ' CE2' ' A' ' 32' ' ' TRP . . . 121.28 4.85 9.82 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.476 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.496 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -70.72 -47.5 59.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.734 0.302 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 9.2 pt -130.14 -175.09 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -120.25 94.01 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.412 ' HB2' ' CB ' ' A' ' 117' ' ' SER . 1.8 m -79.62 174.97 11.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -110.91 -35.18 6.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.56 110.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -48.21 132.85 15.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.455 ' OE1' ' CZ2' ' A' ' 114' ' ' TRP . 13.5 tp10 -134.22 77.68 1.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 39.38 42.5 0.84 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 19.3 t -130.56 150.73 51.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -98.91 -179.02 31.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 129.84 18.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 80.8 p -161.06 143.43 12.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 50.9 m -72.53 110.18 6.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.547 -179.925 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.1 p -149.78 159.13 44.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 110.862 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -116.62 151.91 35.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.806 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.21 70.63 0.89 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.471 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -66.01 175.3 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.871 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 t -63.14 138.56 58.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.66 -154.05 0.18 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -108.52 -44.79 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -120.6 -174.82 2.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.66 44.26 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -174.51 141.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.2 tp -75.76 108.06 8.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -96.32 173.84 7.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -130.16 121.21 25.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.429 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 46.0 pt -110.9 168.36 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.1 m -100.07 174.11 6.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.08 -70.83 0.82 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.444 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -45.49 -27.19 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -80.57 -35.74 33.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.545 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 1.4 t80 -41.9 -48.88 4.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLU . 86.9 t -68.04 -70.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -41.22 -24.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.497 ' O ' ' CA ' ' A' ' 27' ' ' ALA . 6.2 mm-40 -97.83 -75.13 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' TYR . 77.8 t -57.46 -53.46 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.4 m -64.43 -63.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -84.57 30.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.497 ' CA ' ' O ' ' A' ' 23' ' ' GLU . . . -58.21 171.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.164 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 15.5 tp10 -59.33 153.29 19.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 21.0 tptm -60.92 130.67 47.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 55.63 41.9 30.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.7 tp -112.08 140.24 46.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.449 ' CE2' ' O ' ' A' ' 120' ' ' GLY . 92.5 m95 -95.3 106.24 18.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.409 HG21 ' CB ' ' A' ' 27' ' ' ALA . 58.8 t -107.84 115.04 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -111.49 112.54 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.4 tt -107.18 142.79 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 38' ' ' TYR . 2.6 t-160 -123.56 92.23 3.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.62 74.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.563 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 20.1 p90 -72.41 166.2 23.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' A' ' 42' ' ' VAL . 13.4 tpp180 -144.73 106.87 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' ARG . 16.5 m -36.38 -32.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' ARG . 6.1 m -84.04 31.76 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' ARG . 98.3 t -134.82 127.56 18.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.656 0.741 . . . . 0.0 111.104 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -44.83 1.84 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.636 2.224 . . . . 0.0 112.355 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.5 ' SD ' ' CG2' ' A' ' 48' ' ' VAL . 0.2 OUTLIER -61.92 -60.29 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.453 ' C ' ' O ' ' A' ' 44' ' ' MET . 1.4 p -33.46 -37.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' MET . 89.7 mt -48.99 -62.99 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 p -60.25 -30.96 47.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.5 ' CG2' ' SD ' ' A' ' 44' ' ' MET . 58.2 t -63.6 -35.25 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -75.33 -37.42 60.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -55.43 -49.66 71.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.413 ' CG ' HD11 ' A' ' 109' ' ' LEU . 5.8 m-70 -64.32 -51.84 61.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.591 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.6 mt -40.41 -40.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.5 t -56.31 -46.66 79.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.8 t -75.65 -40.71 40.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.4 mt -64.29 -25.49 68.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.52 -39.79 85.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -84.63 -36.47 21.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -62.59 -45.92 90.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -114.57 87.75 14.81 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.65 0.738 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -28.41 25.51 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.729 2.286 . . . . 0.0 112.363 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -61.49 -58.67 7.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.7 m -65.99 122.79 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -79.61 118.51 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -109.16 128.98 55.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.3 m -140.29 139.88 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -116.49 127.79 54.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.85 129.68 24.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.2 mt -70.26 155.29 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.9 t -77.59 47.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -96.4 111.74 23.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t 65.56 36.36 6.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 4.3 t -112.48 -67.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.9 mt -132.17 155.27 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -92.12 160.6 15.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.9 m170 62.69 35.56 14.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.423 ' CE2' ' HB2' ' A' ' 80' ' ' CYS . 5.9 m-85 -134.82 46.1 2.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -73.47 -52.92 11.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -133.13 -32.68 1.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -75.85 166.29 23.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.423 ' HB2' ' CE2' ' A' ' 76' ' ' TYR . 2.9 m 62.72 46.37 5.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 18.8 mt -152.82 151.23 26.15 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.566 0.698 . . . . 0.0 110.954 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.73 169.0 65.35 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.358 -0.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.533 HG21 ' CE2' ' A' ' 85' ' ' PHE . 55.3 m -133.22 131.14 39.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.469 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 2.3 mm -126.02 147.24 30.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.533 ' CE2' HG21 ' A' ' 83' ' ' THR . 32.3 m-85 -146.67 119.4 8.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.5 t -103.87 135.13 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -125.33 134.17 52.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.425 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . 22.4 tptp -117.73 -50.87 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -130.3 44.68 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.16 28.75 55.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -141.2 -175.38 4.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.764 0.316 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 88.1 mt -103.16 91.83 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.414 ' HG3' ' CB ' ' A' ' 88' ' ' LYS . 20.5 mm-40 -69.01 -29.02 67.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -173.02 139.6 5.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -133.89 149.81 51.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 115' ' ' LYS . 58.1 m-85 -134.18 90.33 2.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.0 mp -100.36 108.67 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 111.6 134.95 6.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.543 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.523 ' CG2' ' N ' ' A' ' 105' ' ' ILE . 4.4 mp -35.27 -58.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.326 . . . . 0.0 111.114 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.2 mt -45.48 -52.79 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -58.28 -37.29 74.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.422 ' C ' ' HE3' ' A' ' 115' ' ' LYS . 1.8 m -74.97 -16.13 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 128.69 -34.36 2.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 107' ' ' LEU . . . 128.2 144.91 5.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.574 ' CD1' ' CG ' ' A' ' 106' ' ' ASN . 2.4 pp -40.65 -33.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 111.157 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.574 ' CG ' ' CD1' ' A' ' 105' ' ' ILE . 25.3 m120 -92.62 31.83 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 104' ' ' GLY . 5.4 tp -67.27 130.21 42.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -92.32 179.99 5.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.413 HD11 ' CG ' ' A' ' 51' ' ' HIS . 6.5 tp -73.8 -29.77 62.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -81.34 -46.04 15.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -50.88 -42.39 59.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.0 tp -71.23 -38.1 71.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -52.07 -28.64 18.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.493 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.8 t90 -74.86 -58.59 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 15.3 mttm -40.25 -44.73 1.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 15.6 mt -70.21 -31.71 69.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 120' ' ' GLY . 3.7 t -76.74 -61.96 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -39.84 -33.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 73.3 t -75.03 -37.75 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 124.06 -0.59 9.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.48 -46.46 72.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 111.077 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 25.4 pt -135.81 -175.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -127.59 92.14 3.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.6 p -93.76 158.63 15.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -67.99 -43.13 79.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 49.8 mt -48.54 123.8 7.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -103.33 169.28 8.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -112.05 134.82 53.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -80.55 -61.15 2.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.4 t -155.2 156.13 35.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 159.79 126.84 0.87 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -9.7 26.77 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 35.9 t -57.65 -48.74 78.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.5 p -70.7 -3.2 17.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.478 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -149.38 120.1 7.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.844 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -166.84 178.41 5.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.27 166.91 27.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 m -154.55 178.5 10.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.911 0.386 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 t -60.06 -62.9 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.59 147.45 5.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -116.05 -41.51 3.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.543 ' CE2' ' HD2' ' A' ' 63' ' ' LYS . 4.0 m-85 -107.26 -175.93 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -176.02 37.78 0.1 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -175.0 154.08 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.5 tp -74.08 129.74 38.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -119.83 163.8 16.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -124.31 128.96 49.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 pt -114.49 173.78 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -98.43 178.89 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -62.59 -74.18 0.44 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -39.91 -35.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.802 0.334 . . . . 0.0 110.907 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 20' ' ' TYR . 21.7 mm100 -69.12 -38.97 79.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' GLY . 6.7 t80 -34.0 -52.55 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 23' ' ' GLU . 98.4 t -67.27 -70.06 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -43.65 -21.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' VAL . 5.3 mm-40 -100.14 -76.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 20' ' ' TYR . 98.6 t -57.4 -55.37 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.5 m -62.16 -67.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -80.62 37.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.9 168.29 15.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.053 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -51.78 -174.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.27 -62.27 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -91.08 41.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 32' ' ' TRP . 14.6 tp -125.83 155.08 41.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.539 ' CE2' ' O ' ' A' ' 120' ' ' GLY . 92.2 m95 -121.8 106.16 11.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.3 t -98.35 98.83 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.196 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.8 t -97.39 98.7 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.7 tt -88.44 156.89 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -137.87 124.65 21.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.455 HD12 ' CG2' ' A' ' 83' ' ' THR . 36.7 mt -94.34 130.48 40.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -135.46 139.52 44.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.443 ' CD ' ' HB3' ' A' ' 41' ' ' SER . 3.3 ptp180 -106.94 20.46 19.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 m 44.32 24.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.443 ' HB3' ' CD ' ' A' ' 39' ' ' ARG . 4.0 t -131.17 -32.29 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.426 ' CG1' ' HD2' ' A' ' 43' ' ' PRO . 9.6 t -86.06 135.28 37.47 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.716 . . . . 0.0 111.149 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 53.7 Cg_endo -69.81 -43.78 2.42 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.254 . . . . 0.0 112.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.45 ' O ' ' CG1' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -49.96 -49.47 50.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 46' ' ' LEU . 2.3 p -60.93 -43.77 98.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.467 ' N ' ' SG ' ' A' ' 45' ' ' CYS . 36.1 mt -50.68 -55.45 16.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 44' ' ' MET . 3.3 p -61.92 -39.24 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.5 t -52.1 -44.58 40.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -65.36 -40.77 94.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -46.77 -45.26 19.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.437 ' HB3' ' CD1' ' A' ' 109' ' ' LEU . 11.6 m-70 -73.94 -48.34 31.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 40.3 mt -41.86 -34.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.6 t -58.25 -58.36 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.486 HG12 ' N ' ' A' ' 55' ' ' LEU . 13.2 p -70.92 -28.79 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.486 ' N ' HG12 ' A' ' 54' ' ' VAL . 36.3 mt -72.38 -15.29 61.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.64 -43.92 21.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -77.87 -35.64 50.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -66.65 -44.29 82.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.416 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 29.8 m-85 -115.47 93.42 36.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.1 Cg_endo -69.83 -35.51 12.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.312 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -54.9 -53.97 48.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.5 m -69.5 126.11 28.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.543 ' HD2' ' CE2' ' A' ' 9' ' ' PHE . 22.1 tttp -92.67 101.84 14.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -89.16 124.16 34.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.7 m -137.74 139.84 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.46 140.92 44.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.99 140.36 19.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.3 mt -76.18 122.3 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 9.6 p -73.24 -31.09 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.122 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -41.18 -39.56 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 t -101.17 -47.74 4.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 9.8 t -44.58 -50.46 9.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.9 mt -124.63 137.47 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -109.91 39.23 2.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -123.66 -33.92 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -54.19 120.39 6.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.467 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 25.4 p80 -105.5 -53.47 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.467 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 14.0 t0 -170.11 176.78 4.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 45.1 43.46 7.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 m -124.25 -41.43 2.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.543 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 76.6 mt -84.56 148.4 51.93 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.603 0.716 . . . . 0.0 110.921 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.77 165.32 76.98 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.637 -1.818 . . . . 0.0 112.364 -0.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.455 ' CG2' HD12 ' A' ' 37' ' ' LEU . 86.8 m -138.78 118.33 12.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 60.6 mt -129.66 118.0 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -115.3 136.51 53.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.8 t -112.92 128.96 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -120.09 136.19 54.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.511 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 21.5 tptp -114.2 -62.98 1.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.417 ' CG ' ' HG3' ' A' ' 88' ' ' LYS . 0.5 OUTLIER -119.84 43.66 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.2 -0.24 87.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 92' ' ' ILE . 2.2 tt0 -120.98 153.91 36.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.32 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.457 ' N ' ' HG3' ' A' ' 91' ' ' GLN . 92.1 mt -73.68 113.33 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -89.28 -33.84 16.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.18 118.29 0.8 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -114.42 158.52 21.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -141.91 106.81 4.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.426 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 5.4 mp -120.04 113.25 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.08 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.55 139.46 8.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.474 ' CG2' ' HA2' ' A' ' 104' ' ' GLY . 2.5 mp -39.68 -59.3 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.2 mp -51.14 -57.43 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 97' ' ' ILE . 14.9 mt-10 -50.93 -31.68 18.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.425 ' C ' ' HE3' ' A' ' 115' ' ' LYS . 1.8 m -82.68 -19.48 38.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 126.79 -33.29 3.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.52 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.474 ' HA2' ' CG2' ' A' ' 99' ' ' ILE . . . 135.71 142.27 4.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.456 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.6 pp -45.06 -24.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 111.098 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.456 ' N ' HD12 ' A' ' 105' ' ' ILE . 24.3 m-20 -99.03 29.01 4.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 104' ' ' GLY . 57.2 tp -57.11 117.85 4.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -74.45 162.99 28.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 51' ' ' HIS . 26.7 tp -58.94 -40.37 84.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -76.63 -43.96 36.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -44.64 -53.27 7.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.469 ' HB2' ' CD2' ' A' ' 107' ' ' LEU . 61.0 tp -62.77 -43.59 98.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -43.46 -37.38 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.497 ' O ' ' N ' ' A' ' 117' ' ' SER . 24.0 t90 -69.06 -56.72 6.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.425 ' HE3' ' C ' ' A' ' 102' ' ' CYS . 13.4 mttm -39.67 -47.83 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.1 mt -68.16 -30.83 70.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 120' ' ' GLY . 4.0 t -75.53 -61.06 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -39.61 -31.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 98.1 t -76.94 -38.28 28.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.539 ' O ' ' CE2' ' A' ' 32' ' ' TRP . . . 121.42 10.24 6.71 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.519 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -79.47 -45.45 19.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.416 ' HB ' ' CE2' ' A' ' 59' ' ' PHE . 33.8 pt -132.15 -177.42 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.59 89.25 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.2 p -80.31 175.32 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 126' ' ' LEU . 25.9 m-20 -103.55 -33.79 8.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 127' ' ' GLU . 0.2 OUTLIER -37.64 139.64 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 126' ' ' LEU . 7.4 mm-40 -33.99 108.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -164.76 152.4 11.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -81.29 42.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.2 t -145.72 167.43 23.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 105.4 89.3 2.1 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.547 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -35.52 12.58 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.3 p 46.25 42.73 10.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.4 t -88.73 -47.38 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.454 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 p -46.31 172.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 110.89 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.3 p -73.87 172.92 10.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.49 -138.43 5.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -169.05 124.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.935 0.398 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 t -89.93 40.0 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.469 ' CA ' ' HB2' ' A' ' 60' ' ' PRO . . . -49.82 175.85 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.519 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -114.38 -45.46 3.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -121.68 -68.63 0.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.55 41.8 8.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -175.01 154.93 1.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.6 tp -88.15 121.32 30.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -106.07 170.53 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -128.12 133.14 48.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.7 pt -127.53 174.13 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -106.98 -179.15 3.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.4 -43.74 96.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -63.24 -36.52 83.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' TYR . 32.1 mt-30 -77.24 -36.46 54.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.527 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 1.6 t80 -35.56 -50.71 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.404 ' C ' ' N ' ' A' ' 23' ' ' GLU . 57.3 t -69.65 -64.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -49.13 -17.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.437 ' O ' ' CA ' ' A' ' 27' ' ' ALA . 7.1 mm-40 -105.06 -75.43 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 87' ' ' TYR . 46.4 t -55.8 -58.52 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.5 m -60.89 -69.61 0.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -80.38 38.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.474 ' CB ' HG23 ' A' ' 33' ' ' VAL . . . -64.5 172.39 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.406 ' CB ' HD23 ' A' ' 31' ' ' LEU . 7.8 tp10 -59.36 158.84 8.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -55.15 135.26 49.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 42.59 49.55 4.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.406 HD23 ' CB ' ' A' ' 28' ' ' GLU . 57.1 tp -111.06 116.14 30.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.571 ' CE3' ' HA ' ' A' ' 121' ' ' ALA . 83.6 m95 -74.61 99.06 3.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.474 HG23 ' CB ' ' A' ' 27' ' ' ALA . 59.4 t -101.11 114.54 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.6 t -112.57 106.82 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.414 HD11 ' CD2' ' A' ' 20' ' ' TYR . 16.8 tt -99.39 159.49 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.437 ' CE1' HG13 ' A' ' 48' ' ' VAL . 16.2 t-80 -150.53 111.18 4.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.04 114.04 11.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -114.53 159.02 20.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.419 ' NE ' HD13 ' A' ' 81' ' ' LEU . 6.4 ptt180 -175.26 129.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.492 ' O ' ' C ' ' A' ' 41' ' ' SER . 36.2 t -35.77 -58.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.492 ' C ' ' O ' ' A' ' 40' ' ' SER . 58.4 m -31.07 -43.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 40' ' ' SER . 15.6 t -91.85 129.15 43.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.6 0.714 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -51.22 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.372 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.8 mtp -54.34 -54.11 44.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.2 m -38.36 -38.22 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.06 -68.49 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 48' ' ' VAL . 5.2 p -50.66 -38.41 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.437 HG13 ' CE1' ' A' ' 36' ' ' HIS . 96.1 t -62.21 -40.16 86.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -57.25 -44.94 84.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -54.95 -49.59 70.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.401 ' ND1' HD13 ' A' ' 109' ' ' LEU . 32.9 m-70 -56.68 -46.43 81.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.595 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.4 mt -52.4 -41.97 63.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.843 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.4 t -54.79 -38.47 67.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.2 t -80.26 -41.55 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.426 ' CD1' HD23 ' A' ' 112' ' ' LEU . 40.9 mt -63.72 -28.01 69.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.3 -49.23 74.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -72.26 -36.13 68.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -62.46 -49.51 75.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.534 ' CZ ' HD11 ' A' ' 122' ' ' ILE . 40.4 m-85 -112.84 91.64 18.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.469 ' HB2' ' CA ' ' A' ' 7' ' ' GLY . 53.9 Cg_endo -69.82 -36.08 11.3 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.322 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -55.36 -54.89 38.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.402 HG21 ' CZ ' ' A' ' 64' ' ' PHE . 28.6 m -68.83 120.35 14.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -76.34 116.83 17.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.402 ' CZ ' HG21 ' A' ' 62' ' ' THR . 97.9 m-85 -105.36 126.24 51.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.8 m -139.61 142.58 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.02 141.75 49.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -162.46 138.96 7.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.452 HG21 ' N ' ' A' ' 69' ' ' VAL . 32.1 mt -72.82 142.06 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.452 ' N ' HG21 ' A' ' 68' ' ' ILE . 7.7 p -78.61 44.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -86.11 119.69 26.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.5 t 60.97 30.22 19.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 3.7 m -99.71 -45.27 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.2 tt -146.23 164.6 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 75' ' ' HIS . 12.5 tt0 -97.01 -55.04 2.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 74' ' ' GLU . 14.4 m170 -34.04 -65.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.407 ' CD2' ' HB2' ' A' ' 80' ' ' CYS . 3.3 m-85 -39.11 116.63 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.445 ' CG ' ' H ' ' A' ' 78' ' ' ASP . 5.4 p80 -128.87 -60.06 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.445 ' H ' ' CG ' ' A' ' 77' ' ' HIS . 12.0 t70 -134.95 -69.44 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -72.74 65.3 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.407 ' HB2' ' CD2' ' A' ' 76' ' ' TYR . 27.1 p -132.87 -42.93 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.524 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 26.5 mt -96.57 152.09 38.38 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.601 0.715 . . . . 0.0 110.922 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.75 163.75 80.97 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.371 -0.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.619 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 54.8 m -138.96 141.18 38.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.426 ' N ' HG21 ' A' ' 83' ' ' THR . 70.6 mt -143.52 121.47 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.619 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 77.7 m-85 -123.17 136.68 54.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 24.6 t -111.96 115.36 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 43.5 m-85 -115.48 128.82 56.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.492 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 19.5 ttpt -122.1 -60.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -109.13 38.87 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.49 18.15 76.39 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.593 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 42.7 mt-30 -126.51 -174.93 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 110.889 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 79.2 mt -104.68 85.05 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -55.18 -35.18 64.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.88 126.26 1.33 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.527 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.508 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 14.9 pttm -115.43 148.16 39.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 5.8 m-85 -140.32 105.0 4.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.435 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 5.0 mp -124.43 129.41 73.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 112.69 124.52 4.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 98' ' ' GLY . 60.9 mt -35.59 -53.58 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 111.129 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.2 mt -64.4 -49.46 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 25.5 mt-10 -51.42 -33.02 28.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.7 t -90.2 23.31 2.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.07 -46.68 1.69 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.43 160.42 11.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.466 HD11 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -50.41 -20.47 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.466 ' N ' HD11 ' A' ' 105' ' ' ILE . 3.5 p30 -101.79 25.75 8.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.8 122.21 17.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -80.94 162.65 23.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.401 HD13 ' ND1' ' A' ' 51' ' ' HIS . 29.1 tp -61.71 -40.15 94.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -73.24 -42.04 63.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -47.37 -54.78 10.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.426 HD23 ' CD1' ' A' ' 55' ' ' LEU . 63.9 tp -58.94 -43.57 91.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -43.61 -41.29 4.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.49 ' O ' ' N ' ' A' ' 117' ' ' SER . 24.0 t90 -67.47 -56.48 9.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -38.04 -52.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.91 -31.95 73.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 120' ' ' GLY . 3.7 t -72.53 -62.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -38.93 -37.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 71.5 t -72.72 -38.13 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 121.35 3.07 10.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.571 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -68.65 -40.38 80.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.328 . . . . 0.0 111.097 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 59' ' ' PHE . 34.6 pt -140.39 -176.02 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -125.4 102.56 7.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.1 p -101.88 160.33 14.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -57.97 -42.13 84.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.6 mt -58.87 108.78 0.7 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.75 152.46 26.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.403 ' OE1' ' C ' ' A' ' 128' ' ' GLU . 0.1 OUTLIER -149.62 111.05 4.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.36 110.71 17.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.7 t -105.16 80.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 79.67 -128.26 8.43 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 141.43 45.04 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.311 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.6 t -91.03 -50.86 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 36.9 t -124.92 138.53 54.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -105.07 -59.06 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 56.25 31.3 18.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.74 142.23 16.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -46.02 172.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.378 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -55.48 107.62 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.67 -169.32 15.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -106.02 -56.17 2.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -116.64 -70.78 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.34 49.25 5.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.49 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.441 ' OE2' ' C ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -175.11 168.24 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.0 110.88 -179.838 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.441 ' C ' ' OE2' ' A' ' 11' ' ' GLU . 29.8 tp -107.63 126.78 53.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -121.78 -177.96 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -133.69 134.9 43.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 42.8 pt -122.79 167.46 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.7 p -96.52 178.99 5.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.52 -49.89 66.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -58.83 -32.54 69.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -79.64 -32.69 41.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.554 ' CE2' HD11 ' A' ' 35' ' ' ILE . 3.3 t80 -38.62 -52.48 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 23' ' ' GLU . 53.2 t -67.94 -70.21 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -43.16 -22.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.441 ' O ' ' CA ' ' A' ' 27' ' ' ALA . 69.6 mm-40 -98.37 -75.57 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.7 t -60.13 -58.35 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.5 m -56.84 -67.51 0.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -83.07 34.23 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.456 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -58.99 166.48 2.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' A' ' 29' ' ' LYS . 21.6 tt0 -50.5 154.49 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.449 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -50.84 139.09 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 29' ' ' LYS . 5.1 p-10 37.77 49.83 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.8 tp -115.49 123.9 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.555 ' CZ3' ' HG3' ' A' ' 93' ' ' GLU . 73.8 m95 -84.04 112.12 19.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.456 HG22 ' CB ' ' A' ' 27' ' ' ALA . 91.1 t -110.64 120.39 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.42 HG13 ' CD2' ' A' ' 116' ' ' LEU . 91.7 t -109.6 109.9 30.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.554 HD11 ' CE2' ' A' ' 20' ' ' TYR . 9.3 tt -98.62 145.8 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.549 ' CD2' HG13 ' A' ' 48' ' ' VAL . 7.0 t-80 -137.23 112.74 9.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mt -79.21 99.55 7.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -90.29 157.57 17.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -151.03 122.45 7.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -53.49 -25.98 18.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.6 m -71.21 -33.77 70.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 t -90.94 120.16 68.74 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -25.27 28.69 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -51.24 60.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 46' ' ' LEU . 1.9 p -42.27 -42.34 3.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.438 ' N ' ' SG ' ' A' ' 45' ' ' CYS . 85.4 mt -45.3 -59.55 2.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.6 t -55.12 -41.1 57.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.549 HG13 ' CD2' ' A' ' 36' ' ' HIS . 19.4 t -61.62 -41.75 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -67.02 -32.29 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -63.79 -41.68 97.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -73.19 -51.11 19.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.579 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.6 mt -47.11 -23.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -71.7 -55.38 7.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -72.42 -29.16 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.36 -17.75 62.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.419 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -80.11 -43.75 21.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.078 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.79 -27.49 55.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' HG2' ' CE1' ' A' ' 59' ' ' PHE . 40.7 tttt -74.49 -44.23 52.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.416 ' CE1' ' HG2' ' A' ' 58' ' ' LYS . 36.7 m-85 -117.02 83.75 15.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.694 0.759 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.65 30.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.307 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -70.26 -25.0 63.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.48 HG23 ' CZ ' ' A' ' 64' ' ' PHE . 54.4 m -95.75 129.38 42.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.58 136.99 42.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.48 ' CZ ' HG23 ' A' ' 62' ' ' THR . 88.9 m-85 -131.56 112.37 12.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.46 148.54 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -129.32 143.16 50.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.77 154.54 43.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.8 mt -95.24 143.33 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.8 m -91.0 44.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -74.74 -50.5 17.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 m -129.88 43.5 3.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.9 t -104.75 -55.75 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 34.1 mt -141.61 121.8 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 75' ' ' HIS . 6.9 mm-40 -69.48 -44.6 70.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 74' ' ' GLU . 10.8 m170 -35.47 -34.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 74' ' ' GLU . 5.3 m-85 -64.47 128.35 35.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.423 ' CG ' ' H ' ' A' ' 78' ' ' ASP . 11.8 p80 -129.36 -56.56 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.836 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.423 ' H ' ' CG ' ' A' ' 77' ' ' HIS . 22.1 t0 -174.76 173.69 2.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 56.08 44.18 25.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 29.0 p -133.88 -44.33 0.8 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.517 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 16.2 mt -72.64 153.22 91.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.566 0.698 . . . . 0.0 110.949 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.72 176.94 30.51 Favored 'Cis proline' 0 C--O 1.232 0.212 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.39 -0.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.5 m -149.64 133.83 17.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.6 mt -135.32 141.01 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -139.78 109.88 6.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.5 t -88.7 136.63 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 23.9 m-85 -125.01 134.14 52.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -110.67 -57.93 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -128.77 39.79 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 90.04 21.97 37.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.51 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 1.0 OUTLIER -130.66 -175.43 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.32 . . . . 0.0 110.936 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.404 ' N ' ' HG3' ' A' ' 91' ' ' GLN . 39.7 mt -104.57 83.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 40.0 mm-40 -56.81 -37.58 71.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -161.67 136.91 4.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -129.9 144.53 51.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.329 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 3.0 m-85 -134.12 105.73 6.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.43 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 4.7 mp -117.18 117.52 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.57 130.74 4.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 97.2 mt -43.63 -45.79 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 111.096 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.1 mp -71.73 -40.14 69.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.43 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 13.2 mt-10 -61.04 -23.42 65.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.417 ' C ' ' HE3' ' A' ' 115' ' ' LYS . 30.5 t -101.33 22.32 12.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.29 -41.42 2.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 107' ' ' LEU . . . 109.93 159.96 18.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.547 ' CD1' ' CG ' ' A' ' 106' ' ' ASN . 2.3 pp -44.58 -25.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 111.122 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.547 ' CG ' ' CD1' ' A' ' 105' ' ' ILE . 25.8 m120 -90.17 24.2 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 104' ' ' GLY . 63.5 tp -62.65 119.02 8.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -88.84 147.03 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.0 tp -43.69 -31.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -80.72 -52.93 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -40.99 -54.52 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.465 ' N ' HD13 ' A' ' 107' ' ' LEU . 45.1 tp -65.7 -35.7 81.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -56.92 -35.55 69.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.6 t90 -73.86 -54.49 7.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.461 ' HB3' ' CE2' ' A' ' 96' ' ' PHE . 30.2 mttm -38.65 -51.78 1.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.42 ' CD2' HG13 ' A' ' 34' ' ' VAL . 17.2 mt -65.75 -31.12 71.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.9 t -72.98 -62.45 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -40.21 -27.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 117' ' ' SER . 81.6 t -78.91 -39.31 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 123.76 2.23 8.78 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.18 -45.37 60.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.725 0.298 . . . . 0.0 111.067 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 35.8 pt -134.64 -175.33 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -122.12 103.2 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.4 p -88.88 178.41 6.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -113.46 -26.65 8.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.406 ' CD1' ' N ' ' A' ' 126' ' ' LEU . 0.1 OUTLIER -54.33 117.46 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 128' ' ' GLU . 9.3 pt-20 -116.88 133.05 56.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 127' ' ' GLU . 4.8 tt0 36.79 42.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -71.5 -49.34 42.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.8 t -134.33 169.14 17.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -66.76 127.71 28.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 109.24 2.27 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.682 2.255 . . . . 0.0 112.342 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 70.9 m -159.26 134.06 8.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 26.2 t -53.42 -53.06 56.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 m -148.72 148.67 30.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 0.0 110.848 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -161.95 171.61 17.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.38 69.31 0.25 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -95.18 169.84 9.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.39 . . . . 0.0 110.801 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 p -65.91 -43.25 88.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.821 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.62 167.63 13.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -121.98 -41.93 2.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.786 0.326 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -105.05 -176.07 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.67 41.81 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -175.35 162.58 2.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.3 tp -83.83 126.26 32.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -115.39 -178.22 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -137.64 147.19 44.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 37.9 pt -134.31 171.21 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.9 p -102.68 177.5 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -57.49 -74.77 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.457 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -39.88 -33.05 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' TYR . 16.0 mm-40 -75.69 -39.55 57.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.499 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 2.1 t80 -35.4 -48.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.464 ' CG1' ' HB ' ' A' ' 25' ' ' THR . 91.9 t -73.57 -67.02 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -46.55 -18.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 5.5 mm-40 -101.36 -68.85 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.8 t -66.62 -51.76 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.464 ' HB ' ' CG1' ' A' ' 21' ' ' VAL . 28.7 m -66.95 -68.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -78.27 40.09 0.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 23' ' ' GLU . . . -81.62 166.61 20.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.403 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 22.1 tt0 -53.89 151.68 6.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' LYS . 10.8 tttm -64.06 -59.54 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -89.22 50.83 2.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.403 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 5.9 tp -138.7 138.53 37.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.539 ' CZ2' ' HE3' ' A' ' 88' ' ' LYS . 91.3 m95 -102.46 119.59 39.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.1 t -113.92 101.99 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.6 t -97.71 101.31 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.0 tt -92.83 146.5 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.46 ' CE1' ' HB ' ' A' ' 48' ' ' VAL . 6.2 t-160 -130.18 102.08 6.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.0 mt -64.71 120.31 12.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 66' ' ' LYS . 16.4 p90 -128.32 141.93 51.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 41' ' ' SER . 2.0 ptp180 -117.96 24.5 10.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 39' ' ' ARG . 1.2 t 37.43 27.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' ARG . 1.9 m -131.5 -32.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.481 ' CG1' ' HD2' ' A' ' 43' ' ' PRO . 5.2 t -78.56 136.34 59.8 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.623 0.725 . . . . 0.0 111.156 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 53.8 Cg_endo -69.76 -36.42 10.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.365 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -40.25 84.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.42 -51.32 47.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.2 mt -43.86 -45.42 7.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.444 HG12 ' NE2' ' A' ' 51' ' ' HIS . 90.2 t -67.35 -44.5 87.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.46 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 54.0 t -58.44 -44.12 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -59.65 -40.55 88.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -57.16 -46.86 82.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.463 ' CB ' HD22 ' A' ' 112' ' ' LEU . 20.0 m-70 -68.06 -51.39 47.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.631 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.445 ' CD1' HG13 ' A' ' 48' ' ' VAL . 55.7 mt -51.98 -38.26 56.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.9 t -54.69 -57.21 12.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.499 HG11 ' N ' ' A' ' 55' ' ' LEU . 13.0 p -72.06 -29.8 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.499 ' N ' HG11 ' A' ' 54' ' ' VAL . 70.8 mt -71.22 -18.57 62.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.439 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . . . -76.38 -43.04 42.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.078 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -80.23 -38.62 30.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -64.3 -43.87 93.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -116.34 92.31 36.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.718 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -33.42 16.52 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.661 2.24 . . . . 0.0 112.361 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -54.04 -49.47 68.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.499 HG23 ' CE2' ' A' ' 64' ' ' PHE . 87.2 m -70.95 127.06 31.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -93.37 89.76 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.499 ' CE2' HG23 ' A' ' 62' ' ' THR . 40.4 m-85 -76.37 135.29 39.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.7 m -150.07 137.2 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.449 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . 28.7 pttt -110.03 137.59 47.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.08 134.59 38.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 69' ' ' VAL . 85.6 mt -73.49 137.03 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.45 ' N ' HG22 ' A' ' 68' ' ' ILE . 42.3 t -75.71 52.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -95.8 94.23 7.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.5 t 52.6 42.02 31.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 97.4 m -103.52 -47.85 4.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.2 mt -122.39 134.01 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -83.23 168.17 17.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 63.7 41.29 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -131.39 83.76 2.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.502 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 12.4 p-80 -95.15 -46.7 6.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.502 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 15.1 t70 -175.11 173.52 2.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 56.02 39.31 30.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.0 p -128.24 -34.03 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 25.1 mt -90.24 154.77 46.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.71 173.52 44.09 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.309 -0.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.541 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 51.5 m -147.35 141.72 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.7 mt -143.74 136.32 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.184 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.541 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 71.8 m-85 -133.25 118.58 18.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 43.1 t -92.55 127.28 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -118.93 132.76 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.539 ' HE3' ' CZ2' ' A' ' 32' ' ' TRP . 18.8 tptp -124.07 -48.4 1.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -126.42 41.97 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.5 23.52 67.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -134.7 -174.43 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.9 mt -105.72 84.14 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -54.13 -36.16 62.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -163.75 123.88 1.22 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.409 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 18.8 ptpt -115.58 148.4 39.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 2.3 m-85 -137.4 105.36 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.466 HD13 ' N ' ' A' ' 97' ' ' ILE . 4.6 mp -118.24 119.44 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 117.93 137.89 5.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.474 HD12 ' CD ' ' A' ' 82' ' ' PRO . 39.1 mm -41.14 -62.32 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 111.111 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.7 mt -57.68 -51.84 65.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.458 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 11.8 mt-10 -47.59 -37.62 12.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.56 28.75 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.56 -53.2 1.3 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.543 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 117.64 162.64 12.55 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.481 HD11 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -55.91 -16.81 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.339 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.481 ' N ' HD11 ' A' ' 105' ' ' ILE . 11.9 p30 -111.66 25.46 11.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 112' ' ' LEU . 22.9 tp -71.2 125.91 28.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -78.02 165.44 24.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.441 HD13 ' CG1' ' A' ' 54' ' ' VAL . 30.1 tp -66.24 -38.68 88.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -73.56 -44.64 56.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -48.71 -56.71 7.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.469 ' HB2' ' CD2' ' A' ' 107' ' ' LEU . 40.9 tp -55.45 -45.36 76.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -45.99 -42.34 13.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.452 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.0 t90 -60.11 -52.45 65.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -40.43 -49.33 2.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.3 mt -68.52 -31.16 70.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 120' ' ' GLY . 13.9 t -72.72 -62.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -40.49 -35.08 0.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.2 t -72.67 -39.11 60.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.506 ' O ' ' CZ2' ' A' ' 32' ' ' TRP . . . 122.67 8.35 6.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.508 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -75.78 -47.43 25.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.744 0.307 . . . . 0.0 111.08 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 23.5 pt -132.9 179.89 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -118.69 99.89 7.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.3 p -99.66 147.02 25.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -49.93 -48.73 51.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 28.1 mt -52.47 109.15 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -102.17 143.75 31.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.41 ' CD ' ' CZ2' ' A' ' 114' ' ' TRP . 10.2 mt-10 -156.47 166.69 32.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -88.64 43.51 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.2 p -38.03 -39.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 135.73 160.68 8.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 105.37 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.33 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 92.3 p -104.69 167.67 9.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 54.3 m -133.1 123.33 25.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.445 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 m -73.5 124.39 25.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.84 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -43.12 160.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.65 -120.62 0.54 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 p -66.04 172.86 3.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 m -80.36 43.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.482 ' HA3' ' CB ' ' A' ' 60' ' ' PRO . . . 73.7 170.21 20.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.478 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.575 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 1.4 ptmm? -121.48 -16.23 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.575 ' CE1' ' HG3' ' A' ' 8' ' ' LYS . 13.5 m-85 -122.32 -72.68 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.09 40.25 95.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.84 159.33 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.9 tp -97.5 133.34 42.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.2 mmm-85 -120.76 177.94 4.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -135.28 138.85 43.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 30.3 pt -132.51 168.42 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 p -99.51 177.92 5.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -58.05 -75.48 0.26 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.408 ' O ' ' OD1' ' A' ' 22' ' ' ASN . 40.9 m-20 -39.07 -34.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 20' ' ' TYR . 13.7 mm-40 -72.7 -40.19 66.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.531 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.9 t80 -33.74 -47.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.409 ' C ' ' N ' ' A' ' 23' ' ' GLU . 88.0 t -69.32 -69.45 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.147 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 18' ' ' ASN . 1.5 m120 -45.21 -21.18 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 21' ' ' VAL . 74.9 mm-40 -100.14 -75.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.507 HG13 ' CG ' ' A' ' 87' ' ' TYR . 47.0 t -57.26 -54.93 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.5 m -63.38 -66.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.172 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -81.75 37.8 0.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.51 171.24 6.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -50.96 147.25 5.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 23.0 tttp -56.82 137.39 54.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER 46.0 48.26 12.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 tp -122.72 140.48 52.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.553 ' CZ3' ' HG3' ' A' ' 93' ' ' GLU . 94.3 m95 -90.38 127.13 36.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.9 t -126.64 111.55 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 68.9 t -105.49 103.79 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.531 HD13 ' CD2' ' A' ' 20' ' ' TYR . 8.4 tt -96.07 143.62 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.427 ' CE1' HG12 ' A' ' 48' ' ' VAL . 8.6 t-80 -131.86 124.85 30.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.457 ' HB2' ' CD2' ' A' ' 81' ' ' LEU . 10.7 mt -95.44 146.24 24.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.432 ' CB ' ' HB2' ' A' ' 45' ' ' CYS . 21.0 p90 -146.0 139.6 26.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 41' ' ' SER . 13.3 ptm180 -110.71 23.15 14.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.6 m 40.51 25.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 39' ' ' ARG . 3.6 p -128.02 -30.16 2.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.489 ' CG1' ' HD2' ' A' ' 43' ' ' PRO . 2.3 t -81.15 136.79 49.71 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.646 0.736 . . . . 0.0 111.162 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.489 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 54.1 Cg_endo -69.75 -10.36 28.38 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' ' 46' ' ' LEU . 7.5 mtp -87.2 -59.4 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.432 ' HB2' ' CB ' ' A' ' 38' ' ' TYR . 16.4 p -37.63 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 44' ' ' MET . 69.5 mt -68.44 -64.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 48' ' ' VAL . 6.4 p -55.45 -38.89 50.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.427 HG12 ' CE1' ' A' ' 36' ' ' HIS . 88.2 t -63.14 -41.98 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -58.09 -43.95 87.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -58.07 -46.29 85.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 109' ' ' LEU . 10.4 m-70 -61.65 -47.96 83.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.8 mt -45.37 -56.24 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 p -47.54 -39.03 15.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.4 t -77.73 -36.45 22.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.401 HD11 ' CD1' ' A' ' 116' ' ' LEU . 30.8 mt -69.04 -30.69 69.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.447 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -66.34 -47.25 74.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.094 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -75.12 -29.26 60.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.574 ' HE3' ' CZ ' ' A' ' 59' ' ' PHE . 29.3 ttpt -71.58 -47.2 56.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.574 ' CZ ' ' HE3' ' A' ' 58' ' ' LYS . 33.2 m-85 -121.61 94.42 48.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.671 0.748 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.482 ' CB ' ' HA3' ' A' ' 7' ' ' GLY . 53.5 Cg_endo -69.73 -35.14 13.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.707 2.271 . . . . 0.0 112.353 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -55.1 -44.68 75.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.5 m -78.38 125.09 28.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -75.24 141.52 43.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.447 ' CD2' ' HA ' ' A' ' 56' ' ' ALA . 98.0 m-85 -131.96 120.15 22.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.1 m -143.23 138.91 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.89 138.75 51.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.47 152.63 50.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 90.3 mt -93.69 129.83 43.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.406 ' CG2' ' HB3' ' A' ' 37' ' ' LEU . 10.9 t -75.82 54.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -107.24 -49.11 3.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.3 t -127.76 53.18 1.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.822 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.8 p -120.13 -44.43 2.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.576 HG22 ' CD1' ' A' ' 76' ' ' TYR . 18.9 tt -145.97 154.01 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.099 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -108.32 41.44 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -126.43 -39.65 2.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.576 ' CD1' HG22 ' A' ' 73' ' ' ILE . 5.1 m-85 -57.08 109.84 0.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.45 ' CG ' ' H ' ' A' ' 78' ' ' ASP . 8.7 p80 -101.29 -55.44 2.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.45 ' H ' ' CG ' ' A' ' 77' ' ' HIS . 13.3 t70 -172.24 176.14 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.5 t30 46.23 47.6 13.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.4 p -126.79 -41.87 1.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.509 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 56.9 mt -85.26 155.36 60.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.566 0.698 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.0 Cg_endo -69.76 160.45 88.01 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.377 -0.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 87.6 m -138.37 124.04 19.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.4 mt -121.73 125.5 73.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -122.86 116.97 24.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 66.6 t -95.71 134.26 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.507 ' CG ' HG13 ' A' ' 24' ' ' VAL . 7.6 m-85 -122.52 133.77 54.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . 15.0 tptp -121.87 -58.39 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -121.46 46.22 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.34 19.44 78.27 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -134.93 176.43 8.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 77.6 mt -95.43 90.59 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.553 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 13.3 mm-40 -63.91 -32.99 74.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.89 123.22 1.21 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.459 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -114.7 139.88 49.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 3.1 m-85 -129.46 101.68 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.446 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 4.7 mp -117.42 121.45 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.85 134.7 6.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.484 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 47.4 mt -42.81 -56.6 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 111.158 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mp -58.49 -53.92 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 16.9 mt-10 -47.16 -35.81 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.6 t -90.23 31.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.44 ' N ' ' HE3' ' A' ' 115' ' ' LYS . . . 89.25 -47.05 3.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.455 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 118.95 166.86 13.62 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.47 HD11 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -57.06 -13.71 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 111.12 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.47 ' N ' HD11 ' A' ' 105' ' ' ILE . 76.7 m-20 -93.28 -16.37 24.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.436 HD13 ' CA ' ' A' ' 112' ' ' LEU . 3.5 tp -34.96 121.25 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.1 157.48 16.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.5 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 4.9 tp -46.69 -42.22 16.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -70.06 -41.47 74.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -53.46 -54.85 31.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.436 ' CA ' HD13 ' A' ' 107' ' ' LEU . 35.1 tp -57.83 -47.35 82.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -44.25 -43.45 7.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.481 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.9 t90 -65.29 -53.66 40.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.44 ' HE3' ' N ' ' A' ' 103' ' ' GLY . 19.8 mttm -38.75 -51.14 1.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.401 ' CD1' HD11 ' A' ' 55' ' ' LEU . 13.3 mt -66.72 -31.52 72.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 114' ' ' TRP . 12.3 t -71.76 -60.57 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -41.16 -34.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 73.5 t -73.58 -37.62 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 118.65 10.34 8.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.51 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -78.67 -43.73 25.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.75 0.309 . . . . 0.0 111.09 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.568 HD13 ' CE2' ' A' ' 59' ' ' PHE . 19.6 pt -132.13 -179.02 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -116.77 102.08 9.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.8 p -90.24 175.16 7.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.72 -29.9 5.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.3 mp -39.3 145.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -39.88 160.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 54.83 42.09 31.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -94.69 139.5 31.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.2 t -106.96 168.59 9.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 96.6 145.96 20.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 178.43 4.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 134' ' ' SER . 92.6 p -119.16 85.57 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 133' ' ' SER . 72.4 m 38.18 42.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.452 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.9 p -154.08 127.73 8.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -150.98 154.53 37.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.88 166.09 13.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.483 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -163.53 171.49 15.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.937 0.398 . . . . 0.0 110.803 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.3 p -129.11 -58.77 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.59 -142.63 6.78 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.572 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -114.22 -39.14 3.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.815 0.341 . . . . 0.0 110.922 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.572 ' CE1' ' HG3' ' A' ' 8' ' ' LYS . 6.2 m-85 -112.37 -176.99 3.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.26 37.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.539 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -174.99 166.76 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.9 tp -94.36 108.51 20.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.7 mtp85 -97.25 167.81 10.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -119.15 131.98 55.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.415 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 42.7 pt -123.49 165.21 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.1 p -95.29 161.78 13.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -48.25 -59.06 6.66 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -52.82 -30.85 35.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 20' ' ' TYR . 26.5 mm100 -76.87 -40.04 48.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.549 ' CE2' HD12 ' A' ' 35' ' ' ILE . 1.5 t80 -34.42 -45.85 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.917 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.4 t -69.41 -71.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -43.56 -23.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.457 ' O ' ' CA ' ' A' ' 27' ' ' ALA . 45.4 mm-40 -96.87 -73.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 20' ' ' TYR . 39.3 t -59.15 -56.2 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 m -61.72 -70.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -81.94 39.13 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.485 ' CB ' HG22 ' A' ' 33' ' ' VAL . . . -63.58 153.81 34.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 4.7 tp10 -38.3 152.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 30' ' ' ASP . 2.3 tppp? -49.29 141.48 8.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' LYS . 3.1 m-20 33.84 50.46 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 tp -112.9 121.5 44.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.566 ' CE3' ' HA ' ' A' ' 121' ' ' ALA . 80.6 m95 -79.23 115.02 18.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.485 HG22 ' CB ' ' A' ' 27' ' ' ALA . 86.2 t -114.15 121.82 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.5 t -114.43 101.54 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.549 HD12 ' CE2' ' A' ' 20' ' ' TYR . 14.9 tt -95.12 152.44 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.511 ' CE1' ' HB3' ' A' ' 38' ' ' TYR . 9.7 t-80 -140.64 121.32 14.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 9.0 mt -85.5 111.83 20.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.519 ' CZ ' HD11 ' A' ' 68' ' ' ILE . 4.1 p90 -121.71 158.83 27.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -144.37 179.17 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 t -102.2 34.26 2.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 m -132.36 -29.93 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.0 t -91.57 123.81 62.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.651 0.739 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -22.57 31.83 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.503 ' SD ' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -73.49 -65.05 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 44' ' ' MET . 8.8 p -36.01 -33.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' MET . 31.6 mt -53.47 -64.25 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 48' ' ' VAL . 5.9 p -57.13 -36.63 52.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.503 ' CG2' ' SD ' ' A' ' 44' ' ' MET . 93.1 t -55.88 -45.85 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.165 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.67 -44.78 93.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -49.22 -50.86 36.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.446 ' NE2' ' O ' ' A' ' 107' ' ' LEU . 69.9 m-70 -65.95 -46.84 76.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.574 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 35.6 mt -57.47 -27.0 62.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -69.57 -51.38 35.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.484 HG11 ' N ' ' A' ' 55' ' ' LEU . 13.2 p -74.98 -28.99 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.159 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.484 ' N ' HG11 ' A' ' 54' ' ' VAL . 29.5 mt -70.45 -19.08 62.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.77 -49.64 57.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 2.2 ptm85 -70.71 -38.91 73.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -57.58 -49.32 76.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.422 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 46.4 m-85 -111.93 84.16 5.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.649 0.738 . . . . 0.0 110.925 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -18.19 37.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.309 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -71.19 -43.1 68.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.6 m -85.05 130.64 34.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.177 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' HD2' ' CZ ' ' A' ' 9' ' ' PHE . 10.9 tttt -76.48 141.23 41.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -132.79 116.72 16.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.7 m -134.41 142.26 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -119.25 130.82 55.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.61 139.54 45.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.519 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 36.9 mm -78.91 139.37 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.546 HG13 ' CD1' ' A' ' 76' ' ' TYR . 91.8 t -74.48 -43.54 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -32.97 -42.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 m -88.76 -54.38 4.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.402 ' C ' HG13 ' A' ' 73' ' ' ILE . 49.5 t -45.65 -57.67 4.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 72' ' ' CYS . 77.4 mt -147.97 132.78 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 75' ' ' HIS . 16.2 tt0 -89.45 -37.22 14.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 74' ' ' GLU . 23.9 m170 -33.92 -42.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.546 ' CD1' HG13 ' A' ' 69' ' ' VAL . 12.1 m-85 -39.55 156.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -123.45 -9.58 7.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 t70 75.03 54.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.579 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 4.8 p-10 -130.37 -42.2 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 81' ' ' LEU . 1.8 m -72.77 -44.91 60.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.537 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 31.1 mt -34.99 152.83 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.585 0.707 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.4 Cg_endo -69.76 164.3 79.57 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.323 -0.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.491 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 33.5 m -134.57 130.64 36.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.1 mt -130.66 135.98 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.491 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 67.3 m-85 -134.84 121.89 21.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.6 t -100.74 134.98 38.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.484 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 26.7 m-85 -127.3 136.65 52.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.487 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -122.41 -60.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -117.47 43.16 2.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.54 29.79 54.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.484 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 58.5 mt-30 -140.79 -176.97 4.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.756 0.312 . . . . 0.0 110.935 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 86.7 mt -102.31 89.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -60.58 -33.86 73.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -172.08 124.8 1.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -110.34 155.96 21.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -139.52 108.09 5.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.443 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 4.8 mp -121.73 126.18 74.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.41 130.06 6.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 84.6 mt -38.49 -59.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 111.108 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.0 mt -54.14 -55.41 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.443 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 9.5 mt-10 -47.1 -37.54 9.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 28.0 m -88.93 28.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.43 ' N ' ' HE3' ' A' ' 115' ' ' LYS . . . 90.69 -43.2 2.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.414 ' C ' ' HE1' ' A' ' 44' ' ' MET . . . 112.15 176.72 19.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.471 HD11 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -59.75 -19.4 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.825 0.345 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.471 ' N ' HD11 ' A' ' 105' ' ' ILE . 43.1 m-20 -98.77 25.19 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 54.2 tp -60.42 109.39 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -84.95 152.88 23.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 47.9 tp -49.93 -40.09 42.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -73.29 -49.4 27.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -48.8 -57.43 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 107' ' ' LEU . 51.9 tp -58.81 -46.34 87.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -44.62 -43.57 8.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.496 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.9 t90 -61.93 -56.27 20.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.43 ' HE3' ' N ' ' A' ' 103' ' ' GLY . 20.3 mttm -38.11 -52.17 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.11 -32.59 74.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 114' ' ' TRP . 10.6 t -70.97 -60.14 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -42.64 -33.71 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 53.2 t -70.92 -38.06 70.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.532 ' O ' ' CZ2' ' A' ' 32' ' ' TRP . . . 121.46 8.86 7.44 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.566 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -77.51 -51.91 9.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.422 ' HB ' ' CE2' ' A' ' 59' ' ' PHE . 35.3 pt -125.32 -179.16 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 123' ' ' GLN . 2.7 pp0? -123.91 94.52 4.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 125' ' ' ASP . 28.5 t -102.98 133.42 48.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 124' ' ' SER . 5.1 m-20 -36.81 -43.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.416 ' C ' ' HG2' ' A' ' 127' ' ' GLU . 16.0 mt -59.33 111.41 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.416 ' HG2' ' C ' ' A' ' 126' ' ' LEU . 10.6 mm-40 -147.52 169.32 19.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -124.72 153.49 42.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -71.13 -56.92 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 19.9 t -85.24 140.31 30.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -175.8 142.14 5.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 162.63 41.31 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.695 2.263 . . . . 0.0 112.36 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.5 m -148.41 162.28 39.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 32.4 t -119.26 103.6 9.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.833 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.512 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.866 0.365 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -103.33 -177.45 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.24 37.38 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -170.22 165.01 9.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.5 tp -95.53 121.59 37.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.7 mtm-85 -116.37 167.3 11.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -119.11 143.86 46.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 20' ' ' TYR . 29.7 pt -129.0 161.53 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -87.42 176.32 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.27 -64.8 3.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -51.34 -23.71 3.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.758 0.314 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -80.8 -34.69 33.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.572 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.7 t80 -41.43 -46.05 3.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.9 t -72.73 -69.33 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -46.66 -20.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -95.25 -74.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.56 HG22 HG11 ' A' ' 33' ' ' VAL . 14.1 t -63.15 -64.95 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.4 m -48.43 -56.82 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -84.3 25.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 24' ' ' VAL . . . -67.59 172.01 5.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.456 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 4.8 tp10 -56.82 174.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -79.59 -69.24 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -84.92 45.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 12.3 tp -122.53 147.16 46.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.536 ' CZ3' ' HG3' ' A' ' 93' ' ' GLU . 80.0 m95 -113.3 107.38 15.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.56 HG11 HG22 ' A' ' 24' ' ' VAL . 66.9 t -100.53 113.63 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.577 HG11 HD22 ' A' ' 116' ' ' LEU . 85.6 t -109.95 107.33 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.572 HD13 ' CD2' ' A' ' 20' ' ' TYR . 12.2 tt -97.92 147.07 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.567 ' CE1' ' HB ' ' A' ' 48' ' ' VAL . 6.0 t-80 -138.86 106.65 5.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.499 HD12 ' HB ' ' A' ' 83' ' ' THR . 6.6 mt -73.16 122.78 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -122.0 151.81 40.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -138.08 131.46 30.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.4 t -56.54 -14.4 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 p -85.75 -39.54 17.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 t -88.33 122.52 69.6 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.625 0.726 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.537 ' HA ' HD12 ' A' ' 46' ' ' LEU . 53.7 Cg_endo -69.78 -44.28 2.15 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.519 ' HE1' ' O ' ' A' ' 104' ' ' GLY . 0.0 OUTLIER -43.55 -55.92 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' VAL . 33.5 m -48.94 -58.46 4.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 43' ' ' PRO . 61.0 mt -36.49 -48.01 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.2 t -67.26 -41.75 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 39.9 t -58.65 -32.38 46.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -69.65 -36.9 76.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -56.19 -44.23 79.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.52 ' HB3' HD12 ' A' ' 109' ' ' LEU . 34.4 m-70 -67.79 -39.71 84.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.608 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.54 -22.74 67.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.6 t -70.03 -45.01 68.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.475 ' CG1' HD11 ' A' ' 109' ' ' LEU . 7.1 p -85.27 -27.46 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.7 mt -71.61 -16.08 62.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.971 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.05 -40.0 54.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 1.1 ptm85 -81.18 -21.89 39.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -77.79 -41.52 37.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -124.82 86.36 56.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -19.91 35.29 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.669 2.246 . . . . 0.0 112.334 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -66.69 -43.95 83.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 32' ' ' TRP . 39.3 m -80.53 125.21 29.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.12 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -79.97 115.12 19.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -104.74 135.75 45.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.1 m -153.03 151.7 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.01 146.71 50.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.58 147.96 32.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.829 0.347 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.524 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 34.0 mt -71.35 155.9 92.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.573 0.701 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.72 163.44 81.72 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.377 -0.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.614 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 21.4 m -139.8 126.44 20.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.181 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 77.8 mt -127.24 136.05 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.614 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 62.1 m-85 -130.13 137.77 50.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.467 HG13 HG22 ' A' ' 34' ' ' VAL . 16.6 t -115.01 117.12 54.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.535 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 35.9 m-85 -115.94 128.88 56.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -109.18 -60.87 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -124.31 43.31 3.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.43 25.06 44.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.478 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.535 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 9.7 pt20 -131.13 -177.65 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.0 mt -106.06 83.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.536 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 6.0 mm-40 -54.96 -39.68 69.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -168.18 132.45 2.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.463 ' HG3' ' CD1' ' A' ' 97' ' ' ILE . 0.7 OUTLIER -122.6 149.97 43.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.556 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.6 OUTLIER -138.0 113.87 9.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.463 ' CD1' ' HG3' ' A' ' 95' ' ' LYS . 5.2 mp -121.31 125.92 74.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.81 141.0 8.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.48 HG22 ' HA2' ' A' ' 104' ' ' GLY . 78.8 mt -50.6 -48.12 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 111.163 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.712 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.2 mp -64.45 -51.63 65.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -53.69 -28.83 35.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.9 m -96.01 23.26 6.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.41 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 98.7 -55.91 1.01 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.442 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.519 ' O ' ' HE1' ' A' ' 44' ' ' MET . . . 119.69 166.96 13.47 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.652 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -55.32 -14.48 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 111.142 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.652 ' N ' HD12 ' A' ' 105' ' ' ILE . 10.5 p30 -109.45 23.27 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.508 HD21 ' HB2' ' A' ' 112' ' ' LEU . 9.6 tp -67.28 132.1 47.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -91.36 166.54 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.52 HD12 ' HB3' ' A' ' 51' ' ' HIS . 14.2 tp -66.78 -27.95 68.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -80.91 -44.17 18.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -48.56 -54.74 13.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.508 ' HB2' HD21 ' A' ' 107' ' ' LEU . 49.5 tp -64.88 -41.29 95.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.473 ' O ' HD11 ' A' ' 122' ' ' ILE . 40.2 tt0 -52.47 -20.49 2.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.481 ' O ' ' N ' ' A' ' 117' ' ' SER . 18.1 t90 -88.75 -52.47 5.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.563 ' O ' HG23 ' A' ' 119' ' ' VAL . 23.9 mttp -38.87 -51.88 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.577 HD22 HG11 ' A' ' 34' ' ' VAL . 12.8 mt -65.5 -31.39 72.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.4 t -70.48 -58.33 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -47.09 -24.67 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 115' ' ' LYS . 95.6 t -81.38 -37.15 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.074 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 123.22 1.33 9.41 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.25 -39.85 68.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.768 0.318 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.473 HD11 ' O ' ' A' ' 113' ' ' GLU . 36.3 pt -140.59 179.97 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.94 91.21 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.2 t -85.58 178.27 7.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.4 mttt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.798 0.332 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -99.67 -176.05 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.94 33.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -174.85 143.58 0.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.0 tp -74.06 125.11 27.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -108.42 -176.04 2.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.513 ' HB2' ' HZ1' ' A' ' 66' ' ' LYS . 1.6 tm-20 -137.15 130.12 30.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' ' 20' ' ' TYR . 26.9 pt -125.89 162.08 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.53 168.39 10.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.41 -64.0 4.7 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -45.99 -30.23 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.321 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 20' ' ' TYR . 55.8 mm-40 -80.99 -35.79 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.695 ' CD2' HD13 ' A' ' 35' ' ' ILE . 2.8 t80 -34.26 -45.25 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.1 t -72.67 -59.23 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.168 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -54.96 -14.26 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -105.15 -70.54 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.631 HG22 HG11 ' A' ' 33' ' ' VAL . 61.3 t -65.62 -71.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 83.4 m -40.86 -65.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -84.04 31.99 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -58.87 155.06 13.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.494 ' HB3' HD22 ' A' ' 31' ' ' LEU . 25.6 tt0 -44.35 156.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -66.17 131.44 46.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 57.08 42.72 25.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 28' ' ' GLU . 15.5 tp -115.4 136.62 52.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.584 ' CZ2' ' HE2' ' A' ' 88' ' ' LYS . 87.9 m95 -91.58 104.93 17.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.631 HG11 HG22 ' A' ' 24' ' ' VAL . 76.8 t -106.12 114.47 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.126 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.542 HG11 HD22 ' A' ' 116' ' ' LEU . 59.9 t -113.08 99.76 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.183 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.695 HD13 ' CD2' ' A' ' 20' ' ' TYR . 11.4 tt -92.24 149.76 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -140.34 112.73 7.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 mt -76.18 88.97 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -83.8 152.97 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.54 ' HG3' HD13 ' A' ' 81' ' ' LEU . 14.1 mmm180 -146.79 141.67 26.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.2 t -66.82 -44.39 81.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.5 m -53.49 -39.72 64.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 t -88.74 125.06 64.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.587 0.708 . . . . 0.0 111.177 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -50.56 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.713 2.275 . . . . 0.0 112.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.93 -57.48 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.1 m -38.11 -58.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.1 mt -38.0 -51.92 1.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.96 -42.79 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.5 t -60.94 -36.33 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -70.25 -38.57 75.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -57.8 -50.08 74.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -65.89 -40.04 91.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.557 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.4 mt -56.41 -50.62 71.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.8 t -45.3 -43.11 10.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.2 t -78.34 -45.6 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.853 HD21 ' HG2' ' A' ' 113' ' ' GLU . 11.9 mt -60.08 -11.24 5.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.64 -38.88 17.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -81.78 -18.6 43.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 tttt -84.6 -44.4 13.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -115.71 92.11 32.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -26.43 27.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.268 . . . . 0.0 112.357 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -59.94 -52.62 64.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 85.6 m -70.35 125.48 26.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.116 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -87.78 97.15 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -86.66 132.3 33.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.1 m -148.64 147.76 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.513 ' HZ1' ' HB2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -127.99 144.53 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.98 129.85 21.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.084 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 88.0 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.54 HD13 ' HG3' ' A' ' 39' ' ' ARG . 15.2 mt -143.27 153.53 59.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.73 169.47 63.07 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.333 -0.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 m -146.79 138.37 24.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 71.2 mt -133.95 139.27 48.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -132.23 133.83 44.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.403 HG13 HG22 ' A' ' 34' ' ' VAL . 23.7 t -112.77 127.54 69.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -120.48 134.42 55.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.584 ' HE2' ' CZ2' ' A' ' 32' ' ' TRP . 8.7 tppt? -103.92 -59.87 1.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -131.32 22.88 4.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.2 6.34 15.99 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -122.97 154.06 38.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 0.0 110.952 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.4 mt -77.91 93.52 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -67.78 -28.68 67.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.39 139.45 5.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -131.81 149.04 52.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -134.38 99.62 4.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.441 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.9 mp -113.4 118.28 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.4 147.86 7.59 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.421 HG22 ' HA2' ' A' ' 104' ' ' GLY . 22.5 mm -50.79 -54.83 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.694 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.0 mp -65.93 -46.35 88.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 13.3 mt-10 -54.12 -30.48 48.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.65 ' O ' HD22 ' A' ' 107' ' ' LEU . 38.6 t -87.34 -15.29 38.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.558 ' HA3' HD22 ' A' ' 107' ' ' LEU . . . 131.1 -35.51 2.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.421 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 106.86 155.49 20.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.475 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.858 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -52.17 -23.15 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.133 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.858 ' N ' HD12 ' A' ' 105' ' ' ILE . 0.7 OUTLIER -104.1 26.71 8.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.681 HD21 ' HB2' ' A' ' 112' ' ' LEU . 29.2 tp -66.37 126.52 29.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -83.78 154.08 23.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.3 tp -58.14 -35.62 71.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.26 -38.1 56.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -56.31 -53.31 58.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.681 ' HB2' HD21 ' A' ' 107' ' ' LEU . 30.1 tp -59.59 -40.41 87.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.853 ' HG2' HD21 ' A' ' 55' ' ' LEU . 36.6 mt-10 -48.59 -31.03 6.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.8 t90 -74.31 -57.03 4.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.404 ' O ' HG23 ' A' ' 119' ' ' VAL . 33.6 mttm -38.72 -51.72 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.542 HD22 HG11 ' A' ' 34' ' ' VAL . 13.0 mt -64.97 -31.22 72.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 120' ' ' GLY . 1.6 t -73.63 -61.57 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -40.81 -26.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 117' ' ' SER . 82.2 t -83.09 -37.91 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 121.62 -1.98 11.15 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.56 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -67.02 -40.24 87.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.744 0.307 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.473 HD11 ' O ' ' A' ' 113' ' ' GLU . 35.6 pt -140.05 -177.31 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -123.64 103.83 8.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 59.8 p -102.87 161.53 13.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.811 0.339 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -111.09 -175.53 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.54 40.84 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.489 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.14 179.59 2.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.9 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.6 tp -111.0 136.27 50.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -130.88 -176.66 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -131.69 141.57 49.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 20' ' ' TYR . 39.5 pt -129.94 163.58 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.2 m -90.93 176.57 6.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.49 -65.35 3.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -48.03 -25.49 1.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.333 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 20' ' ' TYR . 15.3 mm100 -82.11 -38.5 24.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.598 ' CE2' HD13 ' A' ' 35' ' ' ILE . 1.8 t80 -36.13 -39.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.537 HG13 ' CB ' ' A' ' 25' ' ' THR . 64.2 t -77.75 -71.23 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -43.82 -22.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' VAL . 5.3 mm-40 -94.42 -72.01 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.585 HG22 HG11 ' A' ' 33' ' ' VAL . 24.1 t -69.54 -71.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.537 ' CB ' HG13 ' A' ' 21' ' ' VAL . 44.1 m -40.85 -66.26 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -84.82 32.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.521 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -60.17 163.8 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -46.14 171.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 30' ' ' ASP . 19.6 tttp -65.08 136.49 56.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER 34.44 46.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.521 HD23 ' HB1' ' A' ' 27' ' ' ALA . 5.0 tp -109.32 129.0 55.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.551 ' CE3' ' HA ' ' A' ' 121' ' ' ALA . 81.0 m95 -79.96 134.67 36.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.585 HG11 HG22 ' A' ' 24' ' ' VAL . 85.6 t -137.49 113.02 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.148 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.0 t -104.19 108.22 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.598 HD13 ' CE2' ' A' ' 20' ' ' TYR . 20.5 tt -98.58 148.97 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.449 ' CE1' ' HB ' ' A' ' 48' ' ' VAL . 22.6 t-80 -138.55 120.18 15.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mt -92.15 104.66 17.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.578 ' CZ ' HD11 ' A' ' 68' ' ' ILE . 23.0 p90 -91.5 163.39 14.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.473 ' HD3' ' CD1' ' A' ' 81' ' ' LEU . 19.9 mtp180 -152.61 132.21 13.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.5 p -58.1 -30.28 66.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 t -72.15 -33.88 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.407 HG21 HD13 ' A' ' 81' ' ' LEU . 9.4 t -87.88 119.62 70.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 111.141 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -46.85 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.362 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -51.79 -52.08 51.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 44' ' ' MET . 25.6 m -35.31 -56.31 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.9 mt -44.23 -47.83 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 67.9 t -59.04 -49.22 84.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.449 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 48.5 t -54.28 -41.3 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.545 ' HA ' HD12 ' A' ' 52' ' ' LEU . 31.0 m-20 -63.71 -38.56 91.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -54.08 -50.69 66.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.541 ' HB3' HD12 ' A' ' 109' ' ' LEU . 14.6 m-70 -67.52 -48.79 66.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.548 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 49' ' ' ASN . 30.2 mt -42.77 -34.92 1.01 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -65.31 -45.82 82.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.5 t -72.98 -38.03 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.8 mt -69.1 -25.96 64.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.36 -44.27 75.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -79.3 -24.92 42.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -71.84 -39.67 69.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -121.79 87.38 46.4 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.68 0.752 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -18.64 37.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.381 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -71.33 -40.35 70.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.8 m -87.25 134.32 33.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HB3' HG22 ' A' ' 33' ' ' VAL . 10.0 tttt -81.63 143.85 31.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -134.26 129.72 36.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.414 HG23 HG13 ' A' ' 35' ' ' ILE . 27.6 m -147.97 169.25 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -144.65 147.56 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.33 145.1 31.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.578 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 7.9 mm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.451 ' O ' HG23 ' A' ' 97' ' ' ILE . 7.0 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.842 0.353 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.542 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 15.2 mt -95.36 152.33 39.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.79 167.1 72.31 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.292 -0.118 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.443 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 65.1 m -137.06 127.11 25.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.6 mt -126.83 134.95 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.443 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 61.6 m-85 -128.2 122.98 33.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.2 t -102.0 126.19 56.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 23.6 m-85 -121.89 132.98 54.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.548 ' HG3' ' CZ2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -109.54 -63.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -124.14 39.79 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.06 22.57 32.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.528 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 10.3 pt20 -128.83 -177.69 4.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.77 0.319 . . . . 0.0 110.897 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.421 HG22 ' O ' ' A' ' 92' ' ' ILE . 49.9 mt -106.73 83.45 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.5 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 57.0 mm-40 -51.16 -41.65 60.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.54 136.19 4.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -118.98 145.13 46.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.931 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -132.33 98.47 4.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 80' ' ' CYS . 5.2 mp -114.24 115.18 48.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 124.24 148.68 7.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.417 HG22 ' HA2' ' A' ' 104' ' ' GLY . 13.7 mm -53.75 -57.04 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.639 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.4 mp -64.41 -40.78 90.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 10.8 mt-10 -55.23 -25.52 33.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.485 ' O ' HD22 ' A' ' 107' ' ' LEU . 14.3 t -102.86 26.81 7.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.499 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 90.76 -31.91 5.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.417 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 106.44 170.41 22.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.482 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.589 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -60.17 -11.49 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 111.124 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.589 ' N ' HD12 ' A' ' 105' ' ' ILE . 7.3 p30 -105.8 14.48 28.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.499 HD13 ' HA3' ' A' ' 103' ' ' GLY . 18.7 tp -56.12 112.72 1.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -75.12 168.24 20.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.541 HD12 ' HB3' ' A' ' 51' ' ' HIS . 12.9 tp -66.73 -30.66 70.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -80.73 -47.14 14.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -49.02 -47.42 44.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.505 HD23 ' HB2' ' A' ' 51' ' ' HIS . 48.9 tp -62.49 -37.15 84.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.452 ' O ' HD11 ' A' ' 122' ' ' ILE . 27.2 tt0 -53.91 -39.87 66.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.489 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.7 t90 -68.91 -54.03 17.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -38.92 -49.58 1.68 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.8 mt -68.9 -30.76 69.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 120' ' ' GLY . 1.4 t -72.11 -60.55 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -41.96 -25.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 117' ' ' SER . 83.3 t -83.35 -36.39 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 121.94 -2.09 10.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.451 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.551 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -66.04 -37.56 86.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.319 . . . . 0.0 111.103 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.452 HD11 ' O ' ' A' ' 113' ' ' GLU . 35.2 pt -145.61 179.04 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -119.59 100.9 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.0 p -95.71 157.15 16.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.6 mttt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.818 0.342 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -105.88 -179.66 4.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.11 39.22 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -174.52 170.86 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.431 HD21 ' HD3' ' A' ' 66' ' ' LYS . 46.6 tp -104.84 123.03 46.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -113.85 -178.61 3.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -132.22 130.23 40.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 20' ' ' TYR . 25.5 pt -120.96 164.02 17.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 m -88.13 178.7 6.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.75 -68.24 1.73 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -46.16 -25.99 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.754 0.312 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -80.7 -35.67 33.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.746 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.2 t80 -38.1 -47.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.517 HG13 ' CB ' ' A' ' 25' ' ' THR . 73.7 t -70.16 -66.55 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -44.7 -21.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.533 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 60.2 mm-40 -99.54 -74.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.523 HG22 HG11 ' A' ' 33' ' ' VAL . 31.1 t -57.85 -55.33 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.517 ' CB ' HG13 ' A' ' 21' ' ' VAL . 33.0 m -62.32 -65.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -83.39 34.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -60.32 174.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.597 ' HB2' HD22 ' A' ' 31' ' ' LEU . 3.8 mm-40 -53.05 -174.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 30' ' ' ASP . 11.9 tttm -73.43 131.65 42.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 29' ' ' LYS . 2.6 p30 35.5 39.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.597 HD22 ' HB2' ' A' ' 28' ' ' GLU . 5.9 tp -93.89 140.41 29.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.575 ' CZ2' ' HG3' ' A' ' 88' ' ' LYS . 81.0 m95 -93.74 119.69 33.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.523 HG11 HG22 ' A' ' 24' ' ' VAL . 61.0 t -119.96 111.62 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.52 HG11 HD22 ' A' ' 116' ' ' LEU . 84.9 t -103.47 105.68 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.746 HD13 ' CD2' ' A' ' 20' ' ' TYR . 12.2 tt -99.61 157.07 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.559 ' CE1' ' HB ' ' A' ' 48' ' ' VAL . 3.7 t-80 -148.01 118.77 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mt -85.19 95.39 9.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.605 ' OH ' HD11 ' A' ' 68' ' ' ILE . 15.4 p90 -83.93 156.67 22.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.552 ' HG3' HD13 ' A' ' 81' ' ' LEU . 5.6 mmm180 -148.52 124.19 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -53.15 -35.1 59.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.2 m -66.13 -31.36 72.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 t -95.4 123.26 57.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.61 0.719 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -45.74 1.49 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.592 ' CG ' HG23 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -47.76 -48.31 30.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 73.9 m -50.05 -54.6 19.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.0 mt -41.13 -49.36 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.6 t -64.06 -40.36 88.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 39.2 t -58.3 -38.17 67.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -69.45 -37.43 77.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -56.3 -42.63 77.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.568 ' HB2' HD23 ' A' ' 112' ' ' LEU . 34.8 m-70 -76.34 -49.99 15.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.603 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.3 mt -42.25 -34.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -67.3 -48.72 66.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.8 t -68.53 -38.79 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.496 HD13 ' CD1' ' A' ' 116' ' ' LEU . 17.0 mt -67.68 -24.44 65.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.76 -47.37 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -74.26 -27.73 60.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -70.73 -47.83 57.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -116.26 86.56 17.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.655 0.741 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -19.12 36.4 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.344 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -68.3 -43.74 77.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.7 m -84.4 128.46 34.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -72.33 141.85 48.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -133.12 119.58 20.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.7 m -139.2 157.27 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.431 ' HD3' HD21 ' A' ' 12' ' ' LEU . 22.3 pttt -135.25 142.01 45.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.78 133.05 28.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.605 HD11 ' OH ' ' A' ' 38' ' ' TYR . 75.0 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.637 ' O ' HG23 ' A' ' 97' ' ' ILE . 3.0 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.817 0.341 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.552 HD13 ' HG3' ' A' ' 39' ' ' ARG . 14.7 mt -83.34 152.44 64.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.562 0.696 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.74 174.03 42.15 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.389 -0.163 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.486 HG21 ' CE2' ' A' ' 85' ' ' PHE . 54.2 m -146.35 130.61 17.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.9 mt -131.23 111.04 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.486 ' CE2' HG21 ' A' ' 83' ' ' THR . 45.4 m-85 -108.17 127.51 53.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 46.0 t -107.01 128.1 62.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.457 ' CZ ' HG12 ' A' ' 92' ' ' ILE . 43.6 m-85 -124.61 134.04 53.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.575 ' HG3' ' CZ2' ' A' ' 32' ' ' TRP . 0.8 OUTLIER -114.99 -58.89 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -124.5 36.36 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 92.71 7.94 62.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -120.71 153.37 37.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.923 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.457 HG12 ' CZ ' ' A' ' 87' ' ' TYR . 72.7 mt -79.86 91.27 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.529 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 36.7 mm-40 -57.14 -38.17 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -168.06 133.97 3.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -116.36 142.99 46.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.45 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 3.9 m-85 -129.56 87.93 2.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 80' ' ' CYS . 5.3 mp -105.16 118.94 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 113.12 128.45 4.88 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.592 HG23 ' CG ' ' A' ' 44' ' ' MET . 65.1 mt -35.55 -50.14 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.768 0.318 . . . . 0.0 111.145 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.4 mt -64.42 -52.0 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 97' ' ' ILE . 29.5 mt-10 -51.96 -36.87 50.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.679 ' O ' HD22 ' A' ' 107' ' ' LEU . 2.0 m -85.67 25.56 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.618 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 98.34 -51.04 1.27 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.535 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.48 ' O ' ' HE2' ' A' ' 44' ' ' MET . . . 126.36 163.72 11.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.822 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -56.12 -22.47 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 111.133 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.822 ' N ' HD12 ' A' ' 105' ' ' ILE . 14.1 p30 -97.78 19.05 14.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.679 HD22 ' O ' ' A' ' 102' ' ' CYS . 60.2 tp -58.18 111.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -77.65 162.75 26.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.498 ' CD1' ' ND1' ' A' ' 51' ' ' HIS . 23.4 tp -58.14 -35.21 71.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -77.86 -50.89 11.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -44.79 -53.97 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.606 HD13 HD21 ' A' ' 107' ' ' LEU . 47.5 tp -57.9 -38.81 76.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.579 ' O ' HD11 ' A' ' 122' ' ' ILE . 3.1 tm-20 -53.53 -36.55 61.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.481 ' O ' ' N ' ' A' ' 117' ' ' SER . 16.6 t90 -73.16 -51.3 18.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.478 ' O ' HG23 ' A' ' 119' ' ' VAL . 15.6 mtpp -39.43 -48.73 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.52 HD22 HG11 ' A' ' 34' ' ' VAL . 16.8 mt -69.63 -30.59 68.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.4 t -71.5 -58.97 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.405 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . 3.2 pt-20 -43.94 -22.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 115' ' ' LYS . 95.9 t -83.88 -38.48 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 124.81 -1.36 8.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.56 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -68.97 -41.45 77.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.738 0.304 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.579 HD11 ' O ' ' A' ' 113' ' ' GLU . 32.2 pt -138.25 -177.2 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -120.66 102.63 8.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.975 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.6 p -86.09 166.11 16.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -100.36 -178.31 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.39 41.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -173.52 155.8 2.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.2 tp -83.28 117.82 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -103.85 -178.7 3.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -140.6 134.29 30.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.617 HD12 ' HA ' ' A' ' 20' ' ' TYR . 26.4 pt -124.6 175.6 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.0 p -105.15 178.48 4.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.13 -60.01 9.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -56.12 -28.2 56.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -78.48 -35.72 46.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.617 ' HA ' HD12 ' A' ' 15' ' ' ILE . 1.4 t80 -40.49 -45.21 2.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.413 ' C ' ' N ' ' A' ' 23' ' ' GLU . 90.5 t -71.6 -72.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -44.0 -22.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.453 ' O ' ' CA ' ' A' ' 27' ' ' ALA . 5.6 mm-40 -94.9 -73.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.408 HG22 HG11 ' A' ' 33' ' ' VAL . 22.7 t -61.77 -63.02 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.1 m -49.86 -60.1 3.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -87.2 25.51 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.453 ' CA ' ' O ' ' A' ' 23' ' ' GLU . . . -55.27 161.92 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.073 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -48.9 160.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' ASP . 11.9 tppt? -62.44 145.82 53.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' LYS . 3.3 p30 35.38 49.16 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.425 HD23 ' HB1' ' A' ' 27' ' ' ALA . 14.9 tp -113.39 136.27 52.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.558 ' CZ2' ' HE3' ' A' ' 88' ' ' LYS . 95.6 m95 -90.62 103.94 16.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.538 HG22 ' HB3' ' A' ' 63' ' ' LYS . 87.9 t -106.66 106.37 20.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.532 HG11 HD22 ' A' ' 116' ' ' LEU . 59.3 t -102.34 107.49 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.605 HD13 ' CE2' ' A' ' 20' ' ' TYR . 16.1 tt -99.7 165.47 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.412 ' N ' ' CG1' ' A' ' 35' ' ' ILE . 7.1 t-80 -155.6 111.44 3.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 67' ' ' ALA . 8.5 mt -77.33 83.65 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.48 ' OH ' HD11 ' A' ' 68' ' ' ILE . 17.1 p90 -72.41 156.12 39.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -149.49 121.67 8.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 p -53.28 -24.49 11.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -74.28 -32.27 62.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.1 t -87.67 119.79 70.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.646 0.736 . . . . 0.0 111.083 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -26.79 27.05 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.619 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -67.6 -56.82 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' MET . 9.8 p -37.03 -34.51 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.4 mt -47.85 -62.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 44' ' ' MET . 6.0 p -60.01 -33.55 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.525 HG23 ' SD ' ' A' ' 44' ' ' MET . 98.8 t -64.04 -37.77 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -74.12 -39.69 63.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -58.31 -49.68 76.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.516 ' CE1' ' HB2' ' A' ' 109' ' ' LEU . 6.9 m-70 -63.7 -42.59 97.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.58 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 39.8 mt -60.59 -20.64 61.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 t -72.51 -44.58 62.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 p -82.87 -31.26 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.3 mt -69.55 -19.31 63.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.86 -43.68 62.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -79.82 -21.04 44.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 tttp -76.32 -46.33 28.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.425 ' CZ ' HD12 ' A' ' 122' ' ' ILE . 43.6 m-85 -115.56 89.31 22.13 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.681 0.753 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -17.54 37.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -70.62 -40.4 73.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.474 ' HB ' ' CZ ' ' A' ' 64' ' ' PHE . 53.6 m -80.82 126.04 30.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HB3' HG22 ' A' ' 33' ' ' VAL . 24.8 tttt -85.78 102.66 13.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.474 ' CZ ' ' HB ' ' A' ' 62' ' ' THR . 56.6 m-85 -94.0 143.16 26.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.0 m -153.82 137.61 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -111.2 117.57 33.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.525 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -132.97 128.94 37.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.082 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.48 HD11 ' OH ' ' A' ' 38' ' ' TYR . 24.9 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.853 0.359 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.545 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 11.6 mt -82.61 153.07 67.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.8 176.11 34.02 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.379 -0.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.409 ' CG2' ' CZ ' ' A' ' 85' ' ' PHE . 70.8 m -149.33 136.2 19.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.169 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.414 HG23 ' O ' ' A' ' 35' ' ' ILE . 66.6 mt -136.1 135.46 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.409 ' CZ ' ' CG2' ' A' ' 83' ' ' THR . 48.7 m-85 -131.03 132.66 45.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 94' ' ' GLY . 13.2 t -111.92 125.87 69.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -119.21 130.05 55.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.558 ' HE3' ' CZ2' ' A' ' 32' ' ' TRP . 2.8 tppp? -101.35 -58.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -128.9 25.6 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 107.22 14.34 18.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -129.93 155.67 45.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.45 HG21 ' CE ' ' A' ' 95' ' ' LYS . 4.2 mm -76.48 94.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -75.38 -30.22 60.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.546 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -166.85 123.11 1.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.589 ' C ' ' CD1' ' A' ' 96' ' ' PHE . 18.6 ptpt -123.29 161.64 24.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -146.53 112.98 5.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.497 HD11 ' HD3' ' A' ' 95' ' ' LYS . 5.3 mp -119.33 126.25 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.35 139.57 9.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.678 HG22 ' HA2' ' A' ' 104' ' ' GLY . 66.6 mt -50.64 -47.58 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.827 0.346 . . . . 0.0 111.084 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.1 mt -64.15 -48.42 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 97' ' ' ILE . 28.2 mt-10 -56.59 -27.77 58.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 37.8 t -96.57 22.22 8.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.627 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 100.04 -52.15 1.02 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.678 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 122.3 171.86 13.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.748 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.5 pp -60.58 -13.68 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 111.128 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.748 ' N ' HD12 ' A' ' 105' ' ' ILE . 6.0 m120 -102.62 0.65 33.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.649 HD21 ' HB2' ' A' ' 112' ' ' LEU . 12.1 tp -45.67 120.01 2.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -81.72 169.06 17.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 9.4 tp -68.69 -28.73 67.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -84.27 -39.72 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -52.71 -52.69 55.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.649 ' HB2' HD21 ' A' ' 107' ' ' LEU . 47.1 tp -63.63 -38.6 91.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.612 ' O ' HD11 ' A' ' 122' ' ' ILE . 30.8 tt0 -52.61 -23.46 6.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.48 ' O ' ' N ' ' A' ' 117' ' ' SER . 20.4 t90 -83.33 -52.88 6.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -39.86 -50.22 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.532 HD22 HG11 ' A' ' 34' ' ' VAL . 7.9 mt -65.59 -30.72 71.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.5 t -72.55 -57.5 4.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -48.93 -20.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 39.1 t -88.89 -36.38 8.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.537 ' O ' ' CE2' ' A' ' 32' ' ' TRP . . . 124.85 -6.16 8.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.522 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -61.14 -42.34 98.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.612 HD11 ' O ' ' A' ' 113' ' ' GLU . 33.6 pt -141.2 179.45 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -117.15 100.47 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.2 p -110.07 149.58 29.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -121.25 -69.38 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.35 41.61 25.3 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -175.1 146.34 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.932 0.396 . . . . 0.0 110.835 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.9 tp -80.41 132.26 35.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -125.52 173.61 8.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -127.04 144.55 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 20' ' ' TYR . 18.9 pt -133.46 174.91 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.6 m -109.6 -178.36 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.44 -47.2 86.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -62.37 -29.97 70.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' TYR . 62.5 mt-30 -82.15 -33.99 29.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.504 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 2.5 t80 -37.93 -50.72 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.15 -68.98 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.183 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -45.72 -21.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 74.4 mm-40 -98.52 -75.39 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.412 HG22 HG11 ' A' ' 33' ' ' VAL . 78.6 t -58.98 -59.58 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.7 m -56.39 -65.83 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -82.41 36.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.646 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -65.65 147.93 52.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.558 ' OE1' HD13 ' A' ' 31' ' ' LEU . 47.3 tt0 -34.56 149.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 4.1 tppp? -55.67 137.43 49.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 46.13 47.87 12.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.646 HD23 ' HB1' ' A' ' 27' ' ' ALA . 11.5 tp -114.86 134.93 54.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.554 ' CZ3' ' HG3' ' A' ' 93' ' ' GLU . 86.0 m95 -89.92 105.19 17.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.499 HG21 ' CB ' ' A' ' 27' ' ' ALA . 78.5 t -104.22 128.32 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.165 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.497 HG11 HD22 ' A' ' 116' ' ' LEU . 92.8 t -123.34 104.98 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.418 HD13 ' CD2' ' A' ' 20' ' ' TYR . 6.6 tt -103.9 138.23 29.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -126.63 104.61 8.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.5 mt -70.18 97.5 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -91.7 164.18 13.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.611 ' HB3' HG23 ' A' ' 42' ' ' VAL . 7.5 ttt180 -151.47 118.51 5.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.3 t -46.29 -26.91 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -85.03 22.11 1.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.611 HG23 ' HB3' ' A' ' 39' ' ' ARG . 24.9 t -141.4 120.38 8.09 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.644 0.735 . . . . 0.0 111.074 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -49.6 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.659 2.239 . . . . 0.0 112.356 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.482 ' SD ' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -42.68 -44.74 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.8 m -55.9 -43.14 76.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.3 mt -41.77 -58.8 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 44' ' ' MET . 2.7 p -64.31 -41.03 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.482 HG23 ' SD ' ' A' ' 44' ' ' MET . 71.3 t -55.2 -40.16 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.417 ' HA ' HD12 ' A' ' 52' ' ' LEU . 7.2 t-20 -65.85 -45.96 80.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -47.73 -40.14 19.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.466 ' CB ' HD23 ' A' ' 112' ' ' LEU . 7.1 m-70 -72.07 -44.18 63.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.6 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 49' ' ' ASN . 69.1 mt -57.7 -33.52 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 t -59.93 -57.0 14.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.433 ' CG1' HD11 ' A' ' 109' ' ' LEU . 8.6 p -74.0 -27.2 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.1 mt -70.16 -19.37 63.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.428 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -75.54 -44.52 43.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -79.03 -35.27 42.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -62.59 -45.64 91.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.431 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 31.4 m-85 -117.87 90.54 36.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.681 0.753 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -37.37 9.36 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.682 2.255 . . . . 0.0 112.397 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -55.53 -50.65 69.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 32' ' ' TRP . 98.3 m -75.08 125.46 28.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.073 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.7 tttm -71.06 142.78 50.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.428 ' CD2' ' HA ' ' A' ' 56' ' ' ALA . 83.0 m-85 -132.95 117.9 18.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.29 147.33 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.91 142.56 49.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.23 173.15 15.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.095 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.5 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 86.2 m . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.553 HD13 HG21 ' A' ' 42' ' ' VAL . 14.6 mt -137.34 152.88 74.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.75 -178.8 17.51 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.387 -0.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.544 HG22 ' CE2' ' A' ' 85' ' ' PHE . 7.6 m -146.45 138.69 25.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 69.9 mt -144.51 143.54 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.544 ' CE2' HG22 ' A' ' 83' ' ' THR . 76.9 m-85 -144.53 133.33 22.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.2 t -109.09 131.91 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 24.1 m-85 -125.76 132.63 52.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -112.67 -59.76 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -125.7 42.28 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.74 24.68 37.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.56 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 12.5 pt20 -130.77 -174.69 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.1 mt -109.57 84.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.554 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 41.4 mm-40 -53.59 -36.74 62.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.74 139.43 5.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 20.6 pttp -129.33 147.45 51.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.313 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.7 OUTLIER -138.54 108.18 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.417 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 4.2 mp -123.21 118.85 55.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 116.76 125.39 3.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.534 HG22 ' HA2' ' A' ' 104' ' ' GLY . 91.4 mt -34.16 -56.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 111.11 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.2 mt -58.78 -54.76 29.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.417 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 10.9 mt-10 -46.58 -33.97 4.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.427 ' HB3' ' HE3' ' A' ' 44' ' ' MET . 7.4 m -92.21 28.18 1.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.63 -37.38 3.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.534 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 109.48 171.56 20.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.501 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.9 pp -58.34 -15.75 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 111.112 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.501 ' N ' HD12 ' A' ' 105' ' ' ILE . 85.3 m-20 -90.03 -13.51 35.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 112' ' ' LEU . 6.9 tp -38.04 136.99 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.53 161.96 14.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.433 HD11 ' CG1' ' A' ' 54' ' ' VAL . 24.0 tp -53.88 -40.04 66.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.81 -46.67 62.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -48.06 -58.86 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.6 ' HB2' HD21 ' A' ' 107' ' ' LEU . 52.9 tp -56.02 -43.14 77.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.577 ' O ' HD11 ' A' ' 122' ' ' ILE . 10.2 tt0 -48.34 -35.96 13.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.7 t90 -70.86 -55.98 7.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.659 ' O ' HG23 ' A' ' 119' ' ' VAL . 32.4 mttp -39.47 -47.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.497 HD22 HG11 ' A' ' 34' ' ' VAL . 13.8 mt -69.46 -31.17 69.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 114' ' ' TRP . 4.2 t -73.91 -60.61 2.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -42.78 -34.45 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 115' ' ' LYS . 99.0 t -72.79 -35.13 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 32' ' ' TRP . . . 118.24 3.08 15.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.512 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -71.12 -51.3 25.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 111.059 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.577 HD11 ' O ' ' A' ' 113' ' ' GLU . 20.7 pt -128.12 -175.77 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -122.44 95.97 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.5 t -95.97 150.55 20.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.846 0.355 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -103.49 -176.27 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.36 36.95 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.467 ' CG ' ' CZ ' ' A' ' 13' ' ' ARG . 7.2 pt-20 -168.58 162.06 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.8 tp -87.45 125.21 34.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.467 ' CZ ' ' CG ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -107.59 176.43 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -130.59 138.81 50.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' ' 20' ' ' TYR . 46.0 pt -135.68 169.3 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.0 m -106.12 178.33 4.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.96 -48.67 84.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -62.39 -30.12 70.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' TYR . 56.5 mt-30 -80.83 -36.13 31.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.649 ' HA ' HD12 ' A' ' 15' ' ' ILE . 2.4 t80 -35.92 -49.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.595 HG13 ' CB ' ' A' ' 25' ' ' THR . 98.7 t -69.19 -71.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -41.97 -23.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.715 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 7.0 mm-40 -96.2 -75.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.457 HG12 ' CG ' ' A' ' 87' ' ' TYR . 45.2 t -61.88 -52.83 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.595 ' CB ' HG13 ' A' ' 21' ' ' VAL . 87.6 m -63.89 -70.39 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -82.49 36.43 0.48 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -61.18 176.19 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -57.37 169.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 30' ' ' ASP . 44.1 tttm -65.29 135.22 55.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' LYS . 5.1 p-10 36.39 47.59 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 tp -112.35 135.83 52.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.575 ' CZ2' ' HG3' ' A' ' 88' ' ' LYS . 68.7 m95 -87.02 128.27 35.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.451 HG11 HG22 ' A' ' 24' ' ' VAL . 98.6 t -128.95 106.09 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.522 HG11 HD22 ' A' ' 116' ' ' LEU . 95.7 t -98.3 104.41 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.167 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.549 HD13 ' CD2' ' A' ' 20' ' ' TYR . 14.2 tt -99.95 153.73 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.577 ' CE1' HG11 ' A' ' 48' ' ' VAL . 30.6 t60 -138.05 116.81 12.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.818 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.3 mt -80.35 86.7 5.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -82.03 160.03 23.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.624 ' HB3' HG23 ' A' ' 42' ' ' VAL . 17.8 ttt180 -147.31 121.28 9.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.5 p -51.08 -25.87 5.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 m -87.59 20.41 2.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.82 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.624 HG23 ' HB3' ' A' ' 39' ' ' ARG . 45.2 t -136.81 122.38 13.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.742 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -42.88 2.99 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.49 ' SD ' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -54.86 -45.51 74.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 84.3 m -51.47 -36.65 45.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.8 mt -51.95 -66.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 44' ' ' MET . 2.1 p -52.7 -39.64 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.577 HG11 ' CE1' ' A' ' 36' ' ' HIS . 58.8 t -55.69 -46.67 79.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.99 -42.89 95.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -52.0 -44.2 64.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -68.93 -42.46 76.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.634 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.07 -27.35 65.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.8 t -65.8 -52.49 50.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.5 p -76.26 -32.21 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.1 mt -66.55 -17.81 65.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.484 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . . . -80.71 -38.34 29.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.38 -17.45 28.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -81.31 -39.51 25.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -120.61 89.48 44.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.728 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -20.1 35.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -68.93 -37.45 78.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 87.9 m -90.61 137.41 32.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.164 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HB3' HG22 ' A' ' 33' ' ' VAL . 26.5 tttm -93.61 114.1 26.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 65.6 m-85 -100.56 135.5 41.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.77 137.0 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -112.02 127.88 56.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.41 129.54 16.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.6 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 34.3 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.865 0.364 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.547 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 6.7 mt -81.26 151.01 68.95 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.641 0.734 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.0 Cg_endo -69.7 169.83 61.2 Favored 'Cis proline' 0 C--O 1.231 0.175 0 C-N-CA 122.734 -1.778 . . . . 0.0 112.363 -0.153 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.44 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 87.6 m -148.02 140.28 24.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 35' ' ' ILE . 73.7 mt -137.63 148.61 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.44 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 65.5 m-85 -145.15 123.52 12.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.0 t -101.01 135.44 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.457 ' CG ' HG12 ' A' ' 24' ' ' VAL . 22.9 m-85 -125.82 136.21 52.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.575 ' HG3' ' CZ2' ' A' ' 32' ' ' TRP . 1.3 tmtt? -121.66 -62.23 1.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.21 41.7 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.55 18.48 68.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -127.8 -175.05 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.4 mt -105.22 94.65 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.481 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 44.7 mm-40 -61.54 -39.13 89.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.1 142.56 7.82 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.434 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -128.3 146.06 50.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 3.4 m-85 -133.81 103.19 5.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.8 mp -114.78 123.18 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.29 135.96 6.91 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.758 HG22 ' HA2' ' A' ' 104' ' ' GLY . 89.6 mt -48.18 -41.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 111.149 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.6 mt -69.94 -46.91 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.82 -32.74 70.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 10.9 m -82.67 -7.74 59.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.68 -37.0 2.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.508 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.758 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 115.21 163.67 14.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.661 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -59.35 -16.19 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.334 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.661 ' N ' HD12 ' A' ' 105' ' ' ILE . 7.8 p30 -102.5 10.62 38.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.635 HD12 ' HB2' ' A' ' 111' ' ' GLU . 6.3 tp -51.43 134.8 28.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.12 141.32 34.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.6 tp -40.58 -33.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -70.97 -47.41 59.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.635 ' HB2' HD12 ' A' ' 107' ' ' LEU . 20.8 mm-40 -49.62 -55.45 13.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.494 ' HB2' HD21 ' A' ' 107' ' ' LEU . 28.4 tp -59.82 -44.38 94.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.442 ' O ' HD11 ' A' ' 122' ' ' ILE . 32.1 tt0 -47.3 -30.5 3.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.473 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.0 t90 -81.04 -52.79 7.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.518 ' O ' HG23 ' A' ' 119' ' ' VAL . 23.0 mttm -40.06 -49.92 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.522 HD22 HG11 ' A' ' 34' ' ' VAL . 14.5 mt -67.16 -30.11 70.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.4 t -74.08 -62.89 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -40.71 -25.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 115' ' ' LYS . 79.8 t -80.12 -39.76 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 125.92 0.37 7.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.546 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -70.59 -39.58 73.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.31 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.442 HD11 ' O ' ' A' ' 113' ' ' GLU . 36.9 pt -140.81 -175.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.46 ' O ' ' CD ' ' A' ' 123' ' ' GLN . 2.4 pp0? -129.04 88.64 2.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.5 p -72.27 -176.2 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.784 0.326 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -102.62 -175.34 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.27 39.85 0.13 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -174.82 173.5 2.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.4 tp -99.41 127.43 45.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -118.57 169.12 10.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -121.02 150.24 41.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 16.2 pt -137.48 172.13 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -100.19 179.01 4.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -60.27 -74.82 0.32 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.54 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -39.16 -34.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.309 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 20' ' ' TYR . 28.4 mm100 -72.95 -40.26 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.572 ' CE2' HD13 ' A' ' 35' ' ' ILE . 2.2 t80 -34.15 -50.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.454 HG13 ' CB ' ' A' ' 25' ' ' THR . 88.8 t -68.97 -67.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -43.86 -22.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.613 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 9.5 mm-40 -101.81 -74.63 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.551 HG12 ' CG ' ' A' ' 87' ' ' TYR . 22.9 t -56.1 -54.07 31.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.454 ' CB ' HG13 ' A' ' 21' ' ' VAL . 51.0 m -65.15 -67.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -82.3 35.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -62.8 161.61 12.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.072 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.641 ' HB3' HD22 ' A' ' 31' ' ' LEU . 4.1 tp10 -50.53 157.31 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 14.4 ttmm -61.15 149.76 36.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER 36.74 44.83 0.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.641 HD22 ' HB3' ' A' ' 28' ' ' GLU . 6.3 tp -123.14 131.99 53.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.518 ' CD2' ' HA ' ' A' ' 121' ' ' ALA . 79.3 m95 -91.93 128.26 37.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.7 t -119.74 94.86 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.9 t -85.96 102.27 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.594 ' O ' HG23 ' A' ' 84' ' ' ILE . 14.8 tt -99.84 147.35 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.135 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -126.77 118.94 25.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.775 HD23 ' O ' ' A' ' 67' ' ' ALA . 8.3 mt -96.78 119.06 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -117.35 145.93 43.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' SER . 28.0 ttt180 -110.17 23.79 13.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t 39.62 25.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 39' ' ' ARG . 4.0 m -127.49 -23.09 3.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.522 HG21 ' HB2' ' A' ' 81' ' ' LEU . 62.2 t -103.09 133.35 20.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.635 0.731 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.451 ' HD2' HG13 ' A' ' 42' ' ' VAL . 54.0 Cg_endo -69.78 -41.34 4.33 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.598 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -48.12 -47.65 34.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 84.2 m -55.53 -50.86 68.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.9 mt -44.34 -52.4 7.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 82.2 t -61.47 -44.25 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 44' ' ' MET . 87.5 t -50.34 -42.91 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.664 ' HA ' HD12 ' A' ' 52' ' ' LEU . 28.2 t-20 -64.92 -39.88 94.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -50.09 -51.62 41.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' LEU . 14.2 m-70 -65.46 -50.55 64.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.622 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 49' ' ' ASN . 18.8 mt -36.91 -36.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.954 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -66.23 -51.57 56.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.73 -36.4 77.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 116' ' ' LEU . 14.8 mt -74.96 -27.81 60.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.563 ' HA ' ' CE1' ' A' ' 64' ' ' PHE . . . -64.38 -44.18 92.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 ptm85 -77.31 -37.64 52.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -64.53 -48.17 76.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.463 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 54.4 m-85 -108.9 93.96 13.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.673 0.749 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.77 -33.82 15.78 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.268 . . . . 0.0 112.355 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -55.87 -51.09 68.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 98.6 m -68.53 132.12 46.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -98.07 99.13 10.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.563 ' CE1' ' HA ' ' A' ' 56' ' ' ALA . 22.0 m-85 -87.66 130.96 34.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.4 m -140.19 142.16 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -104.68 139.05 40.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.775 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -164.53 133.64 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.2 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.48 ' O ' HG23 ' A' ' 97' ' ' ILE . 87.1 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.895 0.379 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.555 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 3.2 mt -60.52 142.64 90.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.727 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.75 165.42 76.64 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.684 -1.799 . . . . 0.0 112.356 -0.157 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.7 m -140.11 125.97 19.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 35' ' ' ILE . 35.5 mt -138.19 139.5 41.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -134.06 129.38 35.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.9 t -100.29 120.95 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CE1' ' CD1' ' A' ' 92' ' ' ILE . 10.3 m-85 -108.97 127.72 54.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.515 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 37.6 tptt -112.23 -54.81 2.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -129.2 42.14 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.71 26.45 50.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -142.25 173.67 11.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.769 0.318 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.582 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 45.5 mm -90.76 99.27 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 77.6 mm-40 -78.15 -34.12 49.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.11 126.69 1.71 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -115.54 140.5 49.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -130.89 86.99 2.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.48 HG23 ' O ' ' A' ' 80' ' ' CYS . 4.9 mp -106.23 117.19 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.14 129.79 5.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.556 HG22 ' HA2' ' A' ' 104' ' ' GLY . 82.4 mt -37.56 -48.98 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 0.0 111.12 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.0 mt -59.6 -55.63 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -49.48 -36.97 24.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.418 ' C ' ' HE3' ' A' ' 115' ' ' LYS . 1.8 m -74.76 -22.36 58.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.53 -35.32 2.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.526 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.556 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 115.81 151.97 9.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.533 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.695 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.3 pp -42.34 -27.76 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.351 . . . . 0.0 111.121 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.695 ' N ' HD12 ' A' ' 105' ' ' ILE . 20.5 m120 -85.33 22.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 104' ' ' GLY . 42.2 tp -55.79 108.44 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -82.06 144.9 30.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.1 tp -41.58 -39.0 1.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -80.93 -43.08 20.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -43.79 -54.35 5.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.414 ' HB2' HD21 ' A' ' 107' ' ' LEU . 47.8 tp -63.42 -42.77 98.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.55 ' O ' HD11 ' A' ' 122' ' ' ILE . 36.8 tt0 -45.84 -41.55 11.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.49 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.9 t90 -65.48 -55.91 15.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.418 ' HE3' ' C ' ' A' ' 102' ' ' CYS . 14.3 mttm -38.46 -52.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.402 ' CD1' HD13 ' A' ' 55' ' ' LEU . 10.9 mt -64.11 -31.89 73.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 114' ' ' TRP . 7.4 t -71.62 -61.27 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -41.36 -32.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.5 t -74.4 -39.17 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 123.85 3.08 8.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.518 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -71.52 -45.51 62.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.55 HD11 ' O ' ' A' ' 113' ' ' GLU . 26.9 pt -135.54 -179.95 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.49 97.96 5.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.0 p -97.96 157.11 16.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.902 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.573 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 7.6 ptpp? . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.573 ' CD1' ' HG3' ' A' ' 8' ' ' LYS . 4.4 m-85 -107.26 -71.38 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.12 51.23 24.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -175.12 131.73 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.412 HD21 ' HD3' ' A' ' 66' ' ' LYS . 55.4 tp -68.52 117.35 10.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -109.87 168.79 9.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -125.13 129.59 50.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 20' ' ' TYR . 22.5 pt -116.65 170.23 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 t -107.65 177.06 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -52.35 -77.11 0.15 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -39.13 -35.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 20' ' ' TYR . 40.8 mt-30 -73.33 -39.16 65.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.614 ' HA ' HD12 ' A' ' 15' ' ' ILE . 1.7 t80 -34.2 -51.36 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.545 HG13 ' CB ' ' A' ' 25' ' ' THR . 94.0 t -70.39 -67.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -43.7 -22.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 5.8 mm-40 -99.99 -75.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.6 t -57.79 -57.51 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.545 ' CB ' HG13 ' A' ' 21' ' ' VAL . 37.8 m -59.94 -67.32 0.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -81.13 37.6 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.507 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -66.34 156.78 33.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.603 ' HB3' HD22 ' A' ' 31' ' ' LEU . 35.2 tp10 -46.15 157.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 18.2 tptp -59.7 138.06 57.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 44.04 38.84 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 28' ' ' GLU . 9.5 tp -110.12 115.85 30.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.611 ' HZ3' HG12 ' A' ' 119' ' ' VAL . 61.9 m95 -73.0 125.31 27.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.408 HG22 ' HB3' ' A' ' 63' ' ' LYS . 98.9 t -123.81 107.52 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.449 HG22 HG22 ' A' ' 86' ' ' VAL . 92.4 t -98.68 105.07 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.429 HD13 ' CD2' ' A' ' 20' ' ' TYR . 6.4 tt -101.21 144.41 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -130.7 94.37 3.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.406 HD12 ' CG2' ' A' ' 83' ' ' THR . 10.1 mt -60.66 103.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -99.63 129.21 45.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -99.32 15.16 27.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m 39.97 25.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 39' ' ' ARG . 38.3 m -132.3 -29.26 1.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.4 ' CG1' ' HD2' ' A' ' 43' ' ' PRO . 2.1 t -79.34 134.22 59.03 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.649 0.737 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.509 ' HA ' HD12 ' A' ' 46' ' ' LEU . 53.1 Cg_endo -69.81 -19.99 35.18 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.25 . . . . 0.0 112.303 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -57.21 3.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.9 p -44.34 -40.53 5.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 43' ' ' PRO . 65.9 mt -51.67 -46.22 63.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.966 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.5 t -69.16 -41.48 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.119 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 45.2 t -56.45 -45.61 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -56.88 -44.7 82.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -48.8 -46.05 41.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.487 ' O ' HG12 ' A' ' 54' ' ' VAL . 12.3 m-70 -70.29 -48.99 54.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.644 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.5 mt -45.05 -37.81 4.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.1 t -54.12 -57.18 12.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.889 HG11 HD11 ' A' ' 109' ' ' LEU . 10.5 p -71.24 -34.54 54.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.572 HD13 ' CD1' ' A' ' 116' ' ' LEU . 37.5 mt -62.58 -18.99 63.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.48 -43.56 31.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -80.05 -39.16 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -62.11 -48.83 78.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.515 ' CD1' ' HB ' ' A' ' 122' ' ' ILE . 55.9 m-85 -117.76 88.78 31.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.659 0.742 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -32.78 17.69 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -52.38 -41.48 63.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.4 m -81.21 126.03 31.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.408 ' HB3' HG22 ' A' ' 33' ' ' VAL . 35.2 tttm -86.52 107.35 18.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -95.95 139.97 31.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.3 m -151.34 128.29 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.412 ' HD3' HD21 ' A' ' 12' ' ' LEU . 43.5 pttt -105.58 120.2 41.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.86 165.94 21.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.6 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.478 ' O ' HG23 ' A' ' 97' ' ' ILE . 8.8 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.552 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 3.9 mt -85.7 148.72 49.52 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.59 0.709 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.76 164.97 77.86 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.36 -0.086 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.572 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 41.5 m -135.6 129.34 32.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.4 mt -140.56 132.39 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.572 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 73.3 m-85 -134.5 127.51 31.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.449 HG22 HG22 ' A' ' 34' ' ' VAL . 16.2 t -99.6 122.78 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 37.6 m-85 -120.65 130.08 53.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.537 ' HE2' ' CE2' ' A' ' 32' ' ' TRP . 15.2 ttmt -107.5 -64.07 1.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -123.69 39.59 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.52 21.64 33.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.602 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 13.0 pt20 -126.59 -178.54 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.922 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 75.3 mt -107.8 86.14 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -58.36 -34.49 70.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -171.95 134.03 2.9 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -119.03 146.62 44.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 4.1 m-85 -134.89 101.16 4.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.478 HG23 ' O ' ' A' ' 80' ' ' CYS . 5.3 mp -120.38 115.65 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 117.42 128.2 4.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.517 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.641 HG22 ' HA2' ' A' ' 104' ' ' GLY . 91.3 mt -37.34 -58.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 111.098 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.684 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.4 mp -58.63 -51.76 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 9.6 mt-10 -46.71 -36.41 7.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.506 ' O ' HD22 ' A' ' 107' ' ' LEU . 10.4 t -94.21 30.01 2.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.479 ' N ' ' HE3' ' A' ' 115' ' ' LYS . . . 90.68 -44.3 2.89 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.641 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 112.23 175.85 19.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.607 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -59.65 -13.07 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 111.154 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.607 ' N ' HD12 ' A' ' 105' ' ' ILE . 72.2 m-20 -92.49 -11.84 33.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.576 HD21 HD13 ' A' ' 112' ' ' LEU . 61.2 tp -35.31 109.27 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -80.31 160.68 25.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.889 HD11 HG11 ' A' ' 54' ' ' VAL . 44.8 tp -54.28 -40.57 67.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -79.75 -39.47 30.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -48.95 -56.49 8.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.576 HD13 HD21 ' A' ' 107' ' ' LEU . 70.2 tp -58.24 -44.15 88.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.657 ' O ' HD11 ' A' ' 122' ' ' ILE . 12.7 tt0 -42.44 -38.87 2.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.49 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.6 t90 -70.08 -54.22 14.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.529 ' O ' HG23 ' A' ' 119' ' ' VAL . 16.9 mttm -40.35 -45.14 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.572 ' CD1' HD13 ' A' ' 55' ' ' LEU . 12.8 mt -72.75 -29.43 63.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 114' ' ' TRP . 8.6 t -74.57 -60.32 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -40.94 -29.94 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.611 HG12 ' HZ3' ' A' ' 32' ' ' TRP . 92.7 t -76.4 -40.39 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 123.81 6.15 7.28 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.522 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -76.77 -48.49 18.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.657 HD11 ' O ' ' A' ' 113' ' ' GLU . 10.4 pt -131.32 -177.84 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.161 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.52 ' CD ' ' N ' ' A' ' 123' ' ' GLN . 13.6 mp0 -119.38 97.68 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.3 p -82.38 142.16 32.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.808 0.337 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -107.45 -176.4 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.47 43.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -174.39 176.69 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.516 HD21 ' HD2' ' A' ' 66' ' ' LYS . 29.3 tp -110.99 118.09 35.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -109.36 173.55 6.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -126.23 143.55 51.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' A' ' 20' ' ' TYR . 41.0 pt -135.27 171.98 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -104.99 167.39 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -48.27 -60.15 5.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.52 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -50.61 -35.45 30.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -75.92 -33.74 59.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.899 ' CE2' HD13 ' A' ' 35' ' ' ILE . 15.9 t80 -38.5 -51.58 1.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.576 HG13 ' CB ' ' A' ' 25' ' ' THR . 66.0 t -69.63 -71.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -41.63 -23.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' VAL . 17.9 mm-40 -94.65 -73.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 19.9 t -66.65 -71.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.576 ' CB ' HG13 ' A' ' 21' ' ' VAL . 31.9 m -41.13 -64.56 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -81.67 35.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 24' ' ' VAL . . . -74.86 174.7 8.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.473 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -53.27 176.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.486 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 22.5 ttpt -84.84 -69.63 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -85.96 43.49 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 6.1 tp -121.9 149.92 42.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.551 ' CZ2' ' HG3' ' A' ' 88' ' ' LYS . 73.4 m95 -113.07 107.33 15.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.9 t -102.44 115.75 44.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.642 HG22 HG22 ' A' ' 86' ' ' VAL . 65.7 t -111.24 109.57 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.899 HD13 ' CE2' ' A' ' 20' ' ' TYR . 12.4 tt -100.5 152.64 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -141.38 108.87 5.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.659 HD12 ' HB ' ' A' ' 83' ' ' THR . 8.1 mt -71.78 91.36 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.407 ' CE1' ' HG3' ' A' ' 66' ' ' LYS . 4.0 p90 -95.22 151.66 19.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 9.6 mtp-105 -148.82 128.12 12.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.2 t -49.33 -24.98 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 t -70.4 -34.28 72.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 44' ' ' MET . 10.9 t -90.75 116.25 65.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 111.158 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -18.62 36.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.55 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -72.23 -49.76 32.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.2 p -48.94 -29.43 4.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.0 mt -53.66 -63.55 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 44' ' ' MET . 7.2 p -59.05 -33.83 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.458 HG23 ' SD ' ' A' ' 44' ' ' MET . 59.1 t -67.58 -37.25 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -69.46 -36.3 76.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -59.18 -40.35 85.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.539 ' CB ' HD12 ' A' ' 109' ' ' LEU . 5.1 m-70 -69.17 -49.48 56.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.579 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.8 mt -51.81 -32.65 32.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.5 t -60.24 -53.96 51.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.621 ' CG1' HD11 ' A' ' 109' ' ' LEU . 11.9 p -75.28 -27.94 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.76 -19.35 65.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.4 -42.76 64.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.093 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 7.8 ptm180 -78.55 -36.04 45.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 31.1 tttp -63.77 -47.94 78.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -118.28 87.17 29.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 -28.76 24.48 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.691 2.261 . . . . 0.0 112.301 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -61.2 -48.41 81.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 32' ' ' TRP . 82.4 m -78.15 126.54 30.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -74.06 140.37 45.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -130.4 118.23 20.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.6 m -144.54 163.28 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.516 ' HD2' HD21 ' A' ' 12' ' ' LEU . 1.1 pmtp? -145.1 155.1 43.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.04 132.27 16.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.054 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 10.5 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.902 0.382 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.543 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 79.0 mt -67.67 148.7 98.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.623 0.725 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.7 143.33 73.45 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 -1.784 . . . . 0.0 112.364 -0.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.659 ' HB ' HD12 ' A' ' 37' ' ' LEU . 86.2 m -120.9 144.99 48.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 87.6 mt -146.09 134.64 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 95' ' ' LYS . 40.3 m-85 -136.45 141.0 43.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.642 HG22 HG22 ' A' ' 34' ' ' VAL . 61.4 t -115.09 132.43 64.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -125.1 130.79 52.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.551 ' HG3' ' CZ2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -111.58 -61.87 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 29' ' ' LYS . 17.6 m120 -119.82 38.58 3.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.76 2.56 75.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 92' ' ' ILE . 1.5 tp-100 -118.6 152.21 36.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.746 0.308 . . . . 0.0 110.928 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.507 ' N ' ' OE1' ' A' ' 91' ' ' GLN . 93.7 mt -75.01 106.74 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.52 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 36.6 mm-40 -78.33 -34.65 48.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.21 133.47 2.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 85' ' ' PHE . 45.4 pttt -122.65 152.26 40.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.358 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.408 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 11.4 m-85 -138.52 111.37 7.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 97' ' ' ILE . 5.1 mp -123.09 128.87 75.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.09 149.82 19.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.2 mm -52.54 -66.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 103' ' ' GLY . 22.6 mt -49.93 -55.72 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -46.85 -32.11 3.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.401 ' O ' ' HE3' ' A' ' 44' ' ' MET . 32.6 t -94.61 29.22 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.577 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 88.57 -41.98 3.06 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.24 166.34 21.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.556 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.697 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -55.16 -18.62 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.794 0.33 . . . . 0.0 111.115 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.697 ' N ' HD12 ' A' ' 105' ' ' ILE . 23.1 m-20 -101.14 24.1 9.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.615 HD21 ' HB2' ' A' ' 112' ' ' LEU . 3.7 tp -72.28 121.86 20.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -83.75 171.18 13.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.621 HD11 ' CG1' ' A' ' 54' ' ' VAL . 11.6 tp -65.0 -34.98 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.26 -45.27 20.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -44.99 -53.23 7.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.615 ' HB2' HD21 ' A' ' 107' ' ' LEU . 55.6 tp -63.16 -44.2 96.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -44.17 -42.53 6.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.429 ' O ' ' N ' ' A' ' 117' ' ' SER . 20.0 t90 -61.19 -54.41 44.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.55 ' O ' HG23 ' A' ' 119' ' ' VAL . 14.8 mttm -40.31 -51.04 2.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.18 -33.29 75.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 120' ' ' GLY . 10.7 t -72.77 -63.17 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -39.89 -32.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 115' ' ' LYS . 89.2 t -74.43 -39.33 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 121.83 6.7 8.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.532 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -75.34 -42.72 53.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 111.119 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 32.9 pt -136.52 -179.55 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.51 104.21 11.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.1 p -106.99 156.28 18.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.893 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.6 mttp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -112.16 -70.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.85 43.43 7.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -174.99 143.81 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.2 tp -80.0 121.71 25.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 mtt-85 -110.56 -176.56 3.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -142.4 115.8 9.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 20' ' ' TYR . 30.0 pt -109.02 166.62 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.407 ' H ' ' CG ' ' A' ' 19' ' ' GLN . 3.4 m -97.74 164.59 12.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.69 -30.79 66.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -66.2 -40.7 90.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.407 ' CG ' ' H ' ' A' ' 16' ' ' SER . 1.8 pt20 -89.89 -1.64 58.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.788 ' CE2' HD13 ' A' ' 35' ' ' ILE . 4.9 t80 -55.39 -54.54 42.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.715 HG13 ' CB ' ' A' ' 25' ' ' THR . 99.6 t -65.72 -59.72 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.183 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -47.19 -22.05 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -100.9 -75.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.694 HG22 HG11 ' A' ' 33' ' ' VAL . 76.4 t -60.17 -72.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.715 ' CB ' HG13 ' A' ' 21' ' ' VAL . 87.0 m -39.47 -67.78 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -83.44 33.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -65.12 151.15 46.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.109 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 9.3 tp10 -41.86 159.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 44.4 tttt -63.47 -75.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.63 48.87 0.97 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.455 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 6.6 tp -130.15 136.92 49.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.573 ' CZ2' ' HE3' ' A' ' 88' ' ' LYS . 84.8 m95 -103.58 107.94 19.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.694 HG11 HG22 ' A' ' 24' ' ' VAL . 62.0 t -102.57 104.66 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 86' ' ' VAL . 96.9 t -103.84 102.04 13.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.788 HD13 ' CE2' ' A' ' 20' ' ' TYR . 15.4 tt -94.0 152.71 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -140.11 112.25 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 67' ' ' ALA . 8.8 mt -79.64 86.38 5.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -79.55 150.51 31.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.965 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -146.08 121.29 10.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.8 p -49.53 -21.42 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 t -78.67 9.92 3.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.534 HG21 ' HB2' ' A' ' 81' ' ' LEU . 15.0 t -133.07 121.59 16.88 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.566 0.698 . . . . 0.0 111.084 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -30.49 22.28 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.579 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -64.67 -51.16 63.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 96.8 m -42.58 -35.92 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.5 mt -49.61 -64.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 44' ' ' MET . 6.8 p -59.21 -36.26 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 44' ' ' MET . 46.5 t -57.55 -46.61 86.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.458 ' HA ' HD12 ' A' ' 52' ' ' LEU . 31.0 t-20 -62.77 -43.83 97.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -53.56 -52.04 60.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' A' ' 109' ' ' LEU . 22.7 m-70 -61.41 -45.31 94.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.623 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 49' ' ' ASN . 19.5 mt -47.75 -41.16 22.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.6 t -54.68 -57.65 10.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.3 t -61.68 -42.55 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.682 HD13 ' CD1' ' A' ' 116' ' ' LEU . 63.6 mt -64.73 -18.41 65.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.43 -34.23 41.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 1.8 ptm85 -91.64 -17.16 25.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -82.93 -45.96 13.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -117.91 88.4 30.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.715 0.769 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -24.7 29.41 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -60.5 -28.55 68.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.403 ' HB ' ' CZ ' ' A' ' 64' ' ' PHE . 98.9 m -92.72 130.51 38.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -90.55 101.31 14.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.403 ' CZ ' ' HB ' ' A' ' 62' ' ' THR . 55.0 m-85 -93.45 134.28 35.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.9 m -146.73 129.89 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -98.83 128.84 45.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.433 ' HB3' HD11 ' A' ' 35' ' ' ILE . . . -141.69 122.2 14.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 34.0 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.56 ' O ' HG23 ' A' ' 97' ' ' ILE . 40.5 m . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.547 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 4.9 mt -80.55 148.77 66.83 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.597 0.713 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.75 159.9 88.88 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.364 -0.111 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 54.5 m -136.39 118.5 15.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.0 mt -124.52 136.08 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -129.75 135.24 48.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 34' ' ' VAL . 26.4 t -111.25 118.25 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -114.2 126.15 54.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.573 ' HE3' ' CZ2' ' A' ' 32' ' ' TRP . 0.8 OUTLIER -102.01 -67.61 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.935 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.416 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 10.1 m-80 -119.31 30.71 6.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 99.92 16.93 26.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -130.14 151.86 50.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.622 HG21 ' HE2' ' A' ' 95' ' ' LYS . 50.1 mt -75.65 88.63 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.61 -32.99 74.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -163.99 138.06 5.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.622 ' HE2' HG21 ' A' ' 92' ' ' ILE . 17.1 ptpt -132.18 145.05 51.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.531 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 54.1 m-85 -134.46 103.0 5.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 80' ' ' CYS . 4.8 mp -118.61 117.53 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 120.5 143.44 6.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.548 HG22 ' HA2' ' A' ' 104' ' ' GLY . 42.7 mm -49.6 -51.96 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.784 0.326 . . . . 0.0 111.126 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.3 mt -69.33 -40.79 80.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 14.5 mt-10 -58.43 -31.43 67.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.812 ' O ' HD22 ' A' ' 107' ' ' LEU . 2.5 t -90.0 1.62 56.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.87 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 116.32 -35.09 4.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.548 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 108.08 155.89 18.68 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.978 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.5 pp -49.25 -23.95 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.882 0.373 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.978 ' N ' HD12 ' A' ' 105' ' ' ILE . 3.7 p30 -97.11 25.41 5.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.87 HD13 ' HA3' ' A' ' 103' ' ' GLY . 57.5 tp -70.82 123.05 21.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -81.18 176.55 9.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.524 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 5.5 tp -76.6 -28.2 56.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -81.97 -49.58 10.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -49.52 -52.62 28.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.656 ' HB2' HD21 ' A' ' 107' ' ' LEU . 41.2 tp -58.07 -40.12 80.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.411 ' O ' HD11 ' A' ' 122' ' ' ILE . 38.0 tt0 -51.15 -39.87 57.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.3 t90 -60.12 -56.41 21.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.625 ' O ' HG23 ' A' ' 119' ' ' VAL . 29.9 mttp -39.73 -47.85 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.682 ' CD1' HD13 ' A' ' 55' ' ' LEU . 14.9 mt -67.5 -31.19 71.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 114' ' ' TRP . 5.4 t -76.16 -62.28 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -40.79 -30.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 115' ' ' LYS . 95.6 t -80.36 -36.91 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.175 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 124.26 -4.89 8.87 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.501 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.456 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -61.5 -35.62 78.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 111.111 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.411 HD11 ' O ' ' A' ' 113' ' ' GLU . 38.3 pt -146.42 176.64 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.26 91.5 3.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.8 p -96.22 175.01 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.826 0.346 . . . . 0.0 110.949 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -95.96 -175.22 3.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.15 32.23 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -171.09 149.29 2.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.1 tp -74.76 124.81 27.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.96 -176.72 3.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -144.42 135.05 24.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 20' ' ' TYR . 39.8 pt -134.74 168.69 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 m -103.21 -175.63 2.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.33 -67.9 1.91 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -47.12 -27.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -81.88 -37.84 26.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.637 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.5 t80 -38.63 -48.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.566 HG13 ' CB ' ' A' ' 25' ' ' THR . 83.6 t -68.56 -71.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -39.31 -25.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 8.5 mm-40 -99.22 -75.03 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.51 ' HA ' HG11 ' A' ' 33' ' ' VAL . 32.0 t -55.95 -50.44 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.566 ' CB ' HG13 ' A' ' 21' ' ' VAL . 85.2 m -68.55 -62.61 1.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -84.25 29.5 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -57.51 172.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.471 ' HB3' HD22 ' A' ' 31' ' ' LEU . 9.0 tm-20 -62.63 162.37 10.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 30' ' ' ASP . 22.9 ttpt -63.9 144.39 57.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.429 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 0.9 OUTLIER 37.67 42.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 28' ' ' GLU . 9.3 tp -113.08 127.13 56.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.571 ' CZ2' ' HE2' ' A' ' 88' ' ' LYS . 88.7 m95 -80.08 120.36 24.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.51 HG11 ' HA ' ' A' ' 24' ' ' VAL . 41.6 t -119.56 107.69 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.481 HG11 HD22 ' A' ' 116' ' ' LEU . 99.4 t -107.4 105.78 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.637 HD13 ' CD2' ' A' ' 20' ' ' TYR . 13.9 tt -98.62 149.29 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.504 ' CE1' ' HB3' ' A' ' 38' ' ' TYR . 5.1 t-80 -133.79 116.62 15.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.824 HD12 ' HB ' ' A' ' 83' ' ' THR . 10.4 mt -80.52 91.26 5.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.504 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 5.9 p90 -90.48 147.1 23.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.465 ' HG3' ' CD1' ' A' ' 81' ' ' LEU . 5.6 mmt85 -138.38 129.18 26.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 t -58.55 -15.82 12.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.0 t -84.81 -27.41 26.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 44' ' ' MET . 10.1 t -91.71 119.72 68.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -19.92 35.55 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.748 2.299 . . . . 0.0 112.298 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.505 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -71.84 -53.78 12.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 9.1 p -44.55 -26.12 0.33 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.4 mt -58.79 -62.42 1.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 44' ' ' MET . 4.4 p -59.69 -28.75 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.0 t -69.79 -37.61 73.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -67.6 -34.49 77.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -60.2 -50.28 74.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -68.58 -50.99 47.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.614 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.0 mt -43.95 -39.81 4.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -61.51 -44.37 97.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 81.7 t -72.33 -38.43 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.433 HD13 ' CD1' ' A' ' 116' ' ' LEU . 20.9 mt -64.11 -25.0 67.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.69 -46.5 65.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -77.17 -24.11 51.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -76.72 -46.7 24.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.574 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 65.0 m-85 -114.47 86.63 12.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.678 0.751 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -19.88 35.84 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -67.64 -35.86 79.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 90.9 m -89.73 131.91 35.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.09 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -90.61 107.92 19.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -94.32 136.65 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.8 m -144.54 140.68 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -117.87 121.55 41.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.83 132.88 35.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.548 HD22 ' O ' ' A' ' 37' ' ' LEU . 58.8 mt -98.29 154.54 37.59 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.591 0.71 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.75 172.37 49.27 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.625 -1.823 . . . . 0.0 112.374 -0.178 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.824 ' HB ' HD12 ' A' ' 37' ' ' LEU . 52.8 m -148.41 125.76 11.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.6 mt -124.68 141.47 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.657 ' CZ ' ' CG2' ' A' ' 83' ' ' THR . 26.9 m-85 -139.58 127.17 21.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.425 HG22 HG22 ' A' ' 34' ' ' VAL . 33.4 t -105.75 129.9 58.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -120.82 130.71 54.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.571 ' HE2' ' CZ2' ' A' ' 32' ' ' TRP . 7.8 tppt? -100.42 -64.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -128.44 27.81 5.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 110.89 14.48 12.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -132.25 149.45 52.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 110.957 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 69.4 mt -75.58 91.83 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -64.78 -32.11 73.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.64 138.76 5.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.537 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.464 ' C ' ' CD1' ' A' ' 96' ' ' PHE . 43.3 pttt -129.76 155.76 45.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.8 m-85 -143.78 108.69 4.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.433 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 5.4 mp -120.7 124.83 73.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.2 145.66 9.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.574 HG22 ' HA2' ' A' ' 104' ' ' GLY . 8.8 mm -51.09 -57.15 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.317 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.6 mt -61.27 -50.23 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 11.6 mt-10 -50.77 -31.4 16.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.573 ' O ' HD22 ' A' ' 107' ' ' LEU . 10.5 m -97.19 28.67 3.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.625 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 93.7 -44.87 2.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.574 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 104.92 162.52 23.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.483 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.867 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -51.19 -23.41 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.809 0.338 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.867 ' N ' HD12 ' A' ' 105' ' ' ILE . 6.7 p30 -100.1 25.14 7.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.747 HD21 ' HB2' ' A' ' 112' ' ' LEU . 37.9 tp -68.88 128.34 36.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -82.29 178.03 8.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.5 tp -83.41 -29.33 28.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -84.32 -35.09 23.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -57.97 -59.64 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.747 ' HB2' HD21 ' A' ' 107' ' ' LEU . 61.2 tp -55.96 -34.95 66.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.852 ' O ' HD11 ' A' ' 122' ' ' ILE . 34.2 tt0 -56.34 -25.64 49.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.489 ' O ' ' N ' ' A' ' 117' ' ' SER . 17.1 t90 -82.05 -50.57 8.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -39.53 -50.19 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.481 HD22 HG11 ' A' ' 34' ' ' VAL . 15.3 mt -66.93 -29.87 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 114' ' ' TRP . 2.0 t -72.92 -58.77 3.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -43.54 -28.56 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.7 t -83.44 -33.34 9.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.464 ' O ' ' CZ2' ' A' ' 32' ' ' TRP . . . 118.39 1.67 15.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.558 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -69.39 -33.08 72.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.714 0.293 . . . . 0.0 111.043 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.852 HD11 ' O ' ' A' ' 113' ' ' GLU . 43.4 pt -146.19 -177.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -127.1 96.8 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.4 t -90.47 171.12 9.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.868 0.366 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -129.25 -178.99 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.24 42.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -174.19 133.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.2 tp -68.49 115.0 7.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -107.92 176.35 5.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -132.45 128.79 38.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.7 pt -117.02 169.01 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.2 t -97.25 178.87 5.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -62.68 -72.04 0.72 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.432 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -42.27 -30.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' TYR . 79.6 mm-40 -74.51 -38.37 62.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.968 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.672 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.6 t80 -37.44 -46.34 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.41 ' C ' ' N ' ' A' ' 23' ' ' GLU . 94.7 t -68.68 -72.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -45.99 -20.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 21' ' ' VAL . 51.3 mm-40 -96.45 -75.16 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.2 t -59.89 -60.45 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.157 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.7 m -53.71 -59.22 4.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -83.13 31.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.46 ' CB ' HG21 ' A' ' 33' ' ' VAL . . . -73.76 161.01 30.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.456 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 4.7 tp10 -54.2 154.27 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -64.9 -66.11 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -82.82 48.72 1.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 4.7 tp -132.17 140.62 48.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.548 ' CE2' ' O ' ' A' ' 120' ' ' GLY . 96.2 m95 -103.03 100.98 10.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.46 HG21 ' CB ' ' A' ' 27' ' ' ALA . 67.8 t -96.09 105.19 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.43 HG11 HD22 ' A' ' 116' ' ' LEU . 53.5 t -104.04 108.49 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.672 HD13 ' CD2' ' A' ' 20' ' ' TYR . 8.5 tt -102.65 143.76 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.818 ' CE1' HG11 ' A' ' 48' ' ' VAL . 12.2 t-80 -131.96 104.31 6.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 67' ' ' ALA . 28.2 mt -63.7 99.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.636 ' OH ' HD11 ' A' ' 68' ' ' ILE . 24.9 p90 -87.91 154.39 20.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.469 ' HD2' ' CD1' ' A' ' 81' ' ' LEU . 16.9 ttt85 -150.31 109.7 3.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.847 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.7 p -40.89 -27.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -87.81 30.78 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' ARG . 34.8 t -136.93 114.11 9.96 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.661 0.743 . . . . 0.0 111.096 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.504 ' HA ' ' CD1' ' A' ' 46' ' ' LEU . 54.6 Cg_endo -69.74 -27.01 27.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 0.0 112.396 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.567 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -65.47 -70.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 44' ' ' MET . 40.4 t -32.22 -38.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.504 ' CD1' ' HA ' ' A' ' 43' ' ' PRO . 95.2 mt -40.56 -59.32 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 44' ' ' MET . 2.9 p -67.23 -30.97 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.818 HG11 ' CE1' ' A' ' 36' ' ' HIS . 77.1 t -61.6 -45.27 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.427 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 4.3 t-20 -61.39 -36.9 81.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -55.15 -39.64 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.44 ' CG ' ' HA ' ' A' ' 109' ' ' LEU . 9.5 m-70 -79.93 -50.74 10.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.597 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.496 HD12 HG12 ' A' ' 48' ' ' VAL . 31.4 mt -47.82 -30.69 4.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.4 t -61.19 -58.03 10.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.1 p -73.07 -26.87 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.46 HD21 ' HG3' ' A' ' 113' ' ' GLU . 15.5 mt -68.26 -19.4 64.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.52 -40.49 35.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -83.17 -32.14 26.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.3 tttt -67.57 -47.32 70.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -118.6 90.67 40.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.597 0.713 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.85 29.23 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -56.24 -41.56 75.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.1 m -84.19 132.64 34.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.4 tttt -95.07 89.28 5.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -76.42 133.44 39.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.3 m -145.4 134.07 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.6 pttt -107.7 123.9 49.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.471 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -138.31 134.88 34.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.076 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.636 HD11 ' OH ' ' A' ' 38' ' ' TYR . 16.7 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.86 0.362 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.547 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 5.6 mt -59.98 150.91 67.59 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.573 0.701 . . . . 0.0 110.937 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.82 170.91 56.42 Favored 'Cis proline' 0 C--O 1.231 0.175 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.365 -0.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.523 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 52.0 m -146.04 125.82 13.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.9 mt -126.0 144.48 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 41.3 m-85 -142.16 128.85 20.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.3 t -106.07 128.3 60.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 21.0 m-85 -122.8 132.95 54.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -130.67 -38.58 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -132.44 44.79 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 73.2 16.95 78.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.519 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.434 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 20.9 mm-40 -129.68 -174.6 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.918 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.9 mt -105.68 86.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.23 -34.62 61.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.71 129.97 2.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.453 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.6 pttt -120.38 145.14 47.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.6 m-85 -135.17 108.23 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 5.0 mp -122.11 128.63 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.72 137.23 8.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.76 HG22 ' HA2' ' A' ' 104' ' ' GLY . 76.3 mt -46.38 -52.3 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 0.0 111.1 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.5 mt -59.13 -53.09 52.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 97' ' ' ILE . 16.4 mt-10 -50.13 -35.88 27.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.1 m -90.97 27.38 1.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.21 -49.57 2.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.76 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 117.55 171.6 15.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.646 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -57.9 -15.76 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.646 ' N ' HD12 ' A' ' 105' ' ' ILE . 6.6 p-10 -105.43 16.94 24.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.663 HD11 ' HB2' ' A' ' 112' ' ' LEU . 6.4 tp -57.66 130.25 45.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 163.14 13.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.44 ' HA ' ' CG ' ' A' ' 51' ' ' HIS . 26.0 tp -60.26 -38.96 85.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -74.22 -47.45 35.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -45.0 -55.88 5.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.663 ' HB2' HD11 ' A' ' 107' ' ' LEU . 50.0 tp -61.02 -40.5 93.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.704 ' O ' HD11 ' A' ' 122' ' ' ILE . 14.2 tt0 -49.58 -40.79 39.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.491 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.5 t90 -69.12 -53.05 22.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -38.67 -50.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.43 HD22 HG11 ' A' ' 34' ' ' VAL . 5.4 mt -68.09 -30.33 69.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 114' ' ' TRP . 9.6 t -72.03 -61.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -39.9 -34.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 69.1 t -75.15 -38.58 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.548 ' O ' ' CE2' ' A' ' 32' ' ' TRP . . . 121.28 4.85 9.82 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.476 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.504 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -70.72 -47.5 59.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.734 0.302 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.704 HD11 ' O ' ' A' ' 113' ' ' GLU . 9.2 pt -130.14 -175.09 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -120.25 94.01 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.404 ' HB2' ' CB ' ' A' ' 117' ' ' SER . 1.8 m -79.62 174.97 11.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 179.922 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.821 0.343 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -120.6 -174.82 2.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.66 44.26 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -174.51 141.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.449 HD22 ' HB3' ' A' ' 52' ' ' LEU . 23.2 tp -75.76 108.06 8.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -96.32 173.84 7.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -130.16 121.21 25.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 20' ' ' TYR . 46.0 pt -110.9 168.36 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.1 m -100.07 174.11 6.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.08 -70.83 0.82 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.444 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -45.49 -27.19 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -80.57 -35.74 33.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.582 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.4 t80 -41.9 -48.88 4.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.52 HG13 ' CB ' ' A' ' 25' ' ' THR . 86.9 t -68.04 -70.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -41.22 -24.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.549 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 6.2 mm-40 -97.83 -75.13 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.505 HG22 HG11 ' A' ' 33' ' ' VAL . 77.8 t -57.46 -53.46 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.52 ' CB ' HG13 ' A' ' 21' ' ' VAL . 57.4 m -64.43 -63.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -84.57 30.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -58.21 171.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.164 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.44 ' HB3' HD22 ' A' ' 31' ' ' LEU . 15.5 tp10 -59.33 153.29 19.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 21.0 tptm -60.92 130.67 47.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 55.63 41.9 30.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 28' ' ' GLU . 10.7 tp -112.08 140.24 46.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.449 ' CE2' ' O ' ' A' ' 120' ' ' GLY . 92.5 m95 -95.3 106.24 18.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.505 HG11 HG22 ' A' ' 24' ' ' VAL . 58.8 t -107.84 115.04 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 86' ' ' VAL . 93.4 t -111.49 112.54 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.582 HD13 ' CD2' ' A' ' 20' ' ' TYR . 7.4 tt -107.18 142.79 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 38' ' ' TYR . 2.6 t-160 -123.56 92.23 3.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.62 74.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.586 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 20.1 p90 -72.41 166.2 23.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' A' ' 42' ' ' VAL . 13.4 tpp180 -144.73 106.87 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' ARG . 16.5 m -36.38 -32.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' ARG . 6.1 m -84.04 31.76 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' ARG . 98.3 t -134.82 127.56 18.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.656 0.741 . . . . 0.0 111.104 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -44.83 1.84 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.636 2.224 . . . . 0.0 112.355 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.564 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -61.92 -60.29 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.477 ' H ' HG12 ' A' ' 42' ' ' VAL . 1.4 p -33.46 -37.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' MET . 89.7 mt -48.99 -62.99 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.564 HG12 ' O ' ' A' ' 44' ' ' MET . 2.6 p -60.25 -30.96 47.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.5 ' CG2' ' SD ' ' A' ' 44' ' ' MET . 58.2 t -63.6 -35.25 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -75.33 -37.42 60.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -55.43 -49.66 71.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.507 ' HB3' HD12 ' A' ' 109' ' ' LEU . 5.8 m-70 -64.32 -51.84 61.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.591 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.449 ' HB3' HD22 ' A' ' 12' ' ' LEU . 18.6 mt -40.41 -40.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.5 t -56.31 -46.66 79.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.8 t -75.65 -40.71 40.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.611 HD21 ' HG2' ' A' ' 113' ' ' GLU . 22.4 mt -64.29 -25.49 68.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.52 -39.79 85.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -84.63 -36.47 21.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -62.59 -45.92 90.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.426 ' CZ ' HD12 ' A' ' 122' ' ' ILE . 55.1 m-85 -114.57 87.75 14.81 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.65 0.738 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -28.41 25.51 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.729 2.286 . . . . 0.0 112.363 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -61.49 -58.67 7.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.7 m -65.99 122.79 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -79.61 118.51 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -109.16 128.98 55.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.3 m -140.29 139.88 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -116.49 127.79 54.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.85 129.68 24.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.2 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.418 ' C ' ' HG ' ' A' ' 81' ' ' LEU . 2.9 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.855 0.36 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.547 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 18.8 mt -152.82 151.23 26.15 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.566 0.698 . . . . 0.0 110.954 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.73 169.0 65.35 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.358 -0.16 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.5 ' CG2' ' CZ ' ' A' ' 85' ' ' PHE . 55.3 m -133.22 131.14 39.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.469 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 2.3 mm -126.02 147.24 30.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.5 ' CZ ' ' CG2' ' A' ' 83' ' ' THR . 32.3 m-85 -146.67 119.4 8.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 34' ' ' VAL . 60.5 t -103.87 135.13 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -125.33 134.17 52.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . 22.4 tptp -117.73 -50.87 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -130.3 44.68 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.16 28.75 55.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -141.2 -175.38 4.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.764 0.316 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 88.1 mt -103.16 91.83 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.432 ' HG3' ' CB ' ' A' ' 88' ' ' LYS . 20.5 mm-40 -69.01 -29.02 67.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -173.02 139.6 5.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -133.89 149.81 51.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 115' ' ' LYS . 58.1 m-85 -134.18 90.33 2.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.0 mp -100.36 108.67 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 111.6 134.95 6.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.543 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.838 HG22 ' HA2' ' A' ' 104' ' ' GLY . 4.4 mp -35.27 -58.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.326 . . . . 0.0 111.114 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.2 mt -45.48 -52.79 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -58.28 -37.29 74.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.435 ' C ' ' HE3' ' A' ' 115' ' ' LYS . 1.8 m -74.97 -16.13 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 128.69 -34.36 2.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.838 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 128.2 144.91 5.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.929 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.4 pp -40.65 -33.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 111.157 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.929 ' N ' HD12 ' A' ' 105' ' ' ILE . 25.3 m120 -92.62 31.83 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 104' ' ' GLY . 5.4 tp -67.27 130.21 42.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -92.32 179.99 5.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.507 HD12 ' HB3' ' A' ' 51' ' ' HIS . 6.5 tp -73.8 -29.77 62.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -81.34 -46.04 15.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -50.88 -42.39 59.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.513 ' HB2' HD21 ' A' ' 107' ' ' LEU . 65.0 tp -71.23 -38.1 71.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.611 ' HG2' HD21 ' A' ' 55' ' ' LEU . 23.2 mt-10 -52.07 -28.64 18.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.493 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.8 t90 -74.86 -58.59 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 15.3 mttm -40.25 -44.73 1.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.54 ' CD1' HD13 ' A' ' 55' ' ' LEU . 15.6 mt -70.21 -31.71 69.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 120' ' ' GLY . 3.7 t -76.74 -61.96 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -39.84 -33.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 115' ' ' LYS . 73.3 t -75.03 -37.75 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 124.06 -0.59 9.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -67.48 -46.46 72.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 111.077 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.497 HD11 ' O ' ' A' ' 113' ' ' GLU . 25.4 pt -135.81 -175.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -127.59 92.14 3.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.6 p -93.76 158.63 15.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.762 0.315 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.552 ' CE2' ' HD2' ' A' ' 63' ' ' LYS . 4.0 m-85 -107.26 -175.93 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -176.02 37.78 0.1 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -175.0 154.08 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.5 tp -74.08 129.74 38.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -119.83 163.8 16.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -124.31 128.96 49.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 8.0 pt -114.49 173.78 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -98.43 178.89 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -62.59 -74.18 0.44 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -39.91 -35.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.802 0.334 . . . . 0.0 110.907 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 20' ' ' TYR . 21.7 mm100 -69.12 -38.97 79.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.592 ' CE2' HD13 ' A' ' 35' ' ' ILE . 6.7 t80 -34.0 -52.55 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.43 HG13 ' CB ' ' A' ' 25' ' ' THR . 98.4 t -67.27 -70.06 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -43.65 -21.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.59 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 5.3 mm-40 -100.14 -76.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 20' ' ' TYR . 98.6 t -57.4 -55.37 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.43 ' CB ' HG13 ' A' ' 21' ' ' VAL . 61.5 m -62.16 -67.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -80.62 37.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -69.9 168.29 15.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.053 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -51.78 -174.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.27 -62.27 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -91.08 41.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 32' ' ' TRP . 14.6 tp -125.83 155.08 41.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.539 ' CE2' ' O ' ' A' ' 120' ' ' GLY . 92.2 m95 -121.8 106.16 11.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.436 ' CG1' HG22 ' A' ' 24' ' ' VAL . 67.3 t -98.35 98.83 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.196 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.549 HG22 HG22 ' A' ' 86' ' ' VAL . 74.8 t -97.39 98.7 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.592 HD13 ' CE2' ' A' ' 20' ' ' TYR . 18.7 tt -88.44 156.89 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -137.87 124.65 21.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.533 HD12 ' HB ' ' A' ' 83' ' ' THR . 36.7 mt -94.34 130.48 40.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -135.46 139.52 44.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.774 ' HG2' HG23 ' A' ' 42' ' ' VAL . 3.3 ptp180 -106.94 20.46 19.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 m 44.32 24.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.464 ' HB3' ' CD ' ' A' ' 39' ' ' ARG . 4.0 t -131.17 -32.29 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.774 HG23 ' HG2' ' A' ' 39' ' ' ARG . 9.6 t -86.06 135.28 37.47 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.716 . . . . 0.0 111.149 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 53.7 Cg_endo -69.81 -43.78 2.42 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.254 . . . . 0.0 112.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.88 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -49.96 -49.47 50.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 46' ' ' LEU . 2.3 p -60.93 -43.77 98.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.467 ' N ' ' SG ' ' A' ' 45' ' ' CYS . 36.1 mt -50.68 -55.45 16.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 44' ' ' MET . 3.3 p -61.92 -39.24 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 44' ' ' MET . 89.5 t -52.1 -44.58 40.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.647 ' HA ' HD12 ' A' ' 52' ' ' LEU . 29.4 t-20 -65.36 -40.77 94.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -46.77 -45.26 19.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.747 ' HB3' HD12 ' A' ' 109' ' ' LEU . 11.6 m-70 -73.94 -48.34 31.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 49' ' ' ASN . 40.3 mt -41.86 -34.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.6 t -58.25 -58.36 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 51' ' ' HIS . 13.2 p -70.92 -28.79 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.3 mt -72.38 -15.29 61.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.64 -43.92 21.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -77.87 -35.64 50.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -66.65 -44.29 82.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.427 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 29.8 m-85 -115.47 93.42 36.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.1 Cg_endo -69.83 -35.51 12.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.312 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -54.9 -53.97 48.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.5 m -69.5 126.11 28.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.552 ' HD2' ' CE2' ' A' ' 9' ' ' PHE . 22.1 tttp -92.67 101.84 14.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -89.16 124.16 34.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.7 m -137.74 139.84 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.46 140.92 44.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.99 140.36 19.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.814 ' O ' HG23 ' A' ' 97' ' ' ILE . 4.3 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.866 0.365 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.575 HD12 ' NE ' ' A' ' 39' ' ' ARG . 76.6 mt -84.56 148.4 51.93 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.603 0.716 . . . . 0.0 110.921 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.77 165.32 76.98 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.637 -1.818 . . . . 0.0 112.364 -0.143 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.533 ' HB ' HD12 ' A' ' 37' ' ' LEU . 86.8 m -138.78 118.33 12.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.455 HD11 HG11 ' A' ' 48' ' ' VAL . 60.6 mt -129.66 118.0 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -115.3 136.51 53.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.549 HG22 HG22 ' A' ' 34' ' ' VAL . 48.8 t -112.92 128.96 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -120.09 136.19 54.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.507 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 21.5 tptp -114.2 -62.98 1.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.437 ' CG ' ' HG3' ' A' ' 88' ' ' LYS . 0.5 OUTLIER -119.84 43.66 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.2 -0.24 87.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 92' ' ' ILE . 2.2 tt0 -120.98 153.91 36.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.32 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.471 ' N ' ' HG3' ' A' ' 91' ' ' GLN . 92.1 mt -73.68 113.33 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -89.28 -33.84 16.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.18 118.29 0.8 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -114.42 158.52 21.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -141.91 106.81 4.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.814 HG23 ' O ' ' A' ' 80' ' ' CYS . 5.4 mp -120.04 113.25 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.08 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.55 139.46 8.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.602 HG12 HG23 ' A' ' 105' ' ' ILE . 2.5 mp -39.68 -59.3 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.681 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.2 mp -51.14 -57.43 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 97' ' ' ILE . 14.9 mt-10 -50.93 -31.68 18.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.438 ' C ' ' HE3' ' A' ' 115' ' ' LYS . 1.8 m -82.68 -19.48 38.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 126.79 -33.29 3.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.52 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.471 ' HA2' ' CG2' ' A' ' 99' ' ' ILE . . . 135.71 142.27 4.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.721 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.6 pp -45.06 -24.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 111.098 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.721 ' N ' HD12 ' A' ' 105' ' ' ILE . 3.5 m120 -99.03 29.01 4.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.696 HD21 ' HB2' ' A' ' 112' ' ' LEU . 57.2 tp -57.11 117.85 4.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -74.45 162.99 28.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.747 HD12 ' HB3' ' A' ' 51' ' ' HIS . 26.7 tp -58.94 -40.37 84.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -76.63 -43.96 36.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -44.64 -53.27 7.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.696 ' HB2' HD21 ' A' ' 107' ' ' LEU . 61.0 tp -62.77 -43.59 98.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.714 ' O ' HD11 ' A' ' 122' ' ' ILE . 44.5 tt0 -43.46 -37.38 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.497 ' O ' ' N ' ' A' ' 117' ' ' SER . 24.0 t90 -69.06 -56.72 6.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 119' ' ' VAL . 13.4 mttm -39.67 -47.83 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.427 HD22 HG11 ' A' ' 34' ' ' VAL . 14.1 mt -68.16 -30.83 70.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 120' ' ' GLY . 4.0 t -75.53 -61.06 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -39.61 -31.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 115' ' ' LYS . 98.1 t -76.94 -38.28 28.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.539 ' O ' ' CE2' ' A' ' 32' ' ' TRP . . . 121.42 10.24 6.71 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.52 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -79.47 -45.45 19.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.714 HD11 ' O ' ' A' ' 113' ' ' GLU . 33.8 pt -132.15 -177.42 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.59 89.25 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.2 p -80.31 175.32 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.935 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -121.68 -68.63 0.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.55 41.8 8.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -175.01 154.93 1.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.6 tp -88.15 121.32 30.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -106.07 170.53 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -128.12 133.14 48.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 20' ' ' TYR . 42.7 pt -127.53 174.13 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -106.98 -179.15 3.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.4 -43.74 96.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -63.24 -36.52 83.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' TYR . 32.1 mt-30 -77.24 -36.46 54.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.561 ' HA ' HD12 ' A' ' 15' ' ' ILE . 1.6 t80 -35.56 -50.71 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.404 ' C ' ' N ' ' A' ' 23' ' ' GLU . 57.3 t -69.65 -64.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -49.13 -17.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 7.1 mm-40 -105.06 -75.43 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.566 ' HA ' HG11 ' A' ' 33' ' ' VAL . 46.4 t -55.8 -58.52 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 21' ' ' VAL . 86.5 m -60.89 -69.61 0.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -80.38 38.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.636 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -64.5 172.39 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -59.36 158.84 8.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -55.15 135.26 49.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 42.59 49.55 4.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.636 HD23 ' HB1' ' A' ' 27' ' ' ALA . 57.1 tp -111.06 116.14 30.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.566 ' CE3' ' HA ' ' A' ' 121' ' ' ALA . 83.6 m95 -74.61 99.06 3.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.566 HG11 ' HA ' ' A' ' 24' ' ' VAL . 59.4 t -101.11 114.54 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 86' ' ' VAL . 85.6 t -112.57 106.82 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.552 HD13 ' CE2' ' A' ' 20' ' ' TYR . 16.8 tt -99.39 159.49 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -150.53 111.18 4.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 67' ' ' ALA . 8.9 mt -74.04 114.04 11.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -114.53 159.02 20.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.533 ' HE ' HG23 ' A' ' 42' ' ' VAL . 6.4 ptt180 -175.26 129.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.492 ' O ' ' C ' ' A' ' 41' ' ' SER . 36.2 t -35.77 -58.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.492 ' C ' ' O ' ' A' ' 40' ' ' SER . 58.4 m -31.07 -43.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.533 HG23 ' HE ' ' A' ' 39' ' ' ARG . 15.6 t -91.85 129.15 43.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.6 0.714 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -51.22 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.372 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.851 ' SD ' HG23 ' A' ' 99' ' ' ILE . 7.8 mtp -54.34 -54.11 44.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.2 m -38.36 -38.22 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.06 -68.49 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.2 p -50.66 -38.41 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 44' ' ' MET . 96.1 t -62.21 -40.16 86.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.531 ' HA ' HD12 ' A' ' 52' ' ' LEU . 3.0 m-20 -57.25 -44.94 84.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -54.95 -49.59 70.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -56.68 -46.43 81.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.595 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 49' ' ' ASN . 27.4 mt -52.4 -41.97 63.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.4 t -54.79 -38.47 67.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.2 t -80.26 -41.55 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 40.9 mt -63.72 -28.01 69.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.3 -49.23 74.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -72.26 -36.13 68.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -62.46 -49.51 75.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.588 ' CZ ' HD12 ' A' ' 122' ' ' ILE . 40.4 m-85 -112.84 91.64 18.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -36.08 11.3 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.322 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -55.36 -54.89 38.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.6 m -68.83 120.35 14.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -76.34 116.83 17.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.36 126.24 51.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.8 m -139.61 142.58 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.02 141.75 49.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.532 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -162.46 138.96 7.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 32.1 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.744 ' O ' HG23 ' A' ' 97' ' ' ILE . 27.1 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.859 0.362 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.536 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 26.5 mt -96.57 152.09 38.38 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.601 0.715 . . . . 0.0 110.922 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.75 163.75 80.97 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.371 -0.141 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.619 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 54.8 m -138.96 141.18 38.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 70.6 mt -143.52 121.47 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.619 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 77.7 m-85 -123.17 136.68 54.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 34' ' ' VAL . 24.6 t -111.96 115.36 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 43.5 m-85 -115.48 128.82 56.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.509 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 19.5 ttpt -122.1 -60.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -109.13 38.87 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.49 18.15 76.39 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.593 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 42.7 mt-30 -126.51 -174.93 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 110.889 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 79.2 mt -104.68 85.05 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -55.18 -35.18 64.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.88 126.26 1.33 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.527 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.53 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 14.9 pttm -115.43 148.16 39.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 5.8 m-85 -140.32 105.0 4.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.744 HG23 ' O ' ' A' ' 80' ' ' CYS . 5.0 mp -124.43 129.41 73.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 112.69 124.52 4.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.851 HG23 ' SD ' ' A' ' 44' ' ' MET . 60.9 mt -35.59 -53.58 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 111.129 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.2 mt -64.4 -49.46 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 25.5 mt-10 -51.42 -33.02 28.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.7 t -90.2 23.31 2.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.07 -46.68 1.69 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.43 160.42 11.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.647 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -50.41 -20.47 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.647 ' N ' HD12 ' A' ' 105' ' ' ILE . 8.7 p-10 -101.79 25.75 8.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.42 HD21 ' HB2' ' A' ' 112' ' ' LEU . 7.9 tp -67.8 122.21 17.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -80.94 162.65 23.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 29.1 tp -61.71 -40.15 94.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 111' ' ' GLU . 19.9 pt-20 -73.24 -42.04 63.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 4.6 mm-40 -47.37 -54.78 10.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.42 ' HB2' HD21 ' A' ' 107' ' ' LEU . 63.9 tp -58.94 -43.57 91.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.401 ' O ' HD11 ' A' ' 122' ' ' ILE . 13.5 tt0 -43.61 -41.29 4.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.49 ' O ' ' N ' ' A' ' 117' ' ' SER . 24.0 t90 -67.47 -56.48 9.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -38.04 -52.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.485 HD22 HG11 ' A' ' 34' ' ' VAL . 13.3 mt -65.91 -31.95 73.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 120' ' ' GLY . 3.7 t -72.53 -62.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -38.93 -37.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 71.5 t -72.72 -38.13 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 121.35 3.07 10.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.566 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -68.65 -40.38 80.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.328 . . . . 0.0 111.097 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.588 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 34.6 pt -140.39 -176.02 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -125.4 102.56 7.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.1 p -101.88 160.33 14.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.815 0.34 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -116.64 -70.78 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.34 49.25 5.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.49 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.441 ' OE2' ' C ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -175.11 168.24 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.0 110.88 -179.838 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.441 ' C ' ' OE2' ' A' ' 11' ' ' GLU . 29.8 tp -107.63 126.78 53.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.406 ' HG2' ' CD ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -121.78 -177.96 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -133.69 134.9 43.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 20' ' ' TYR . 42.8 pt -122.79 167.46 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.7 p -96.52 178.99 5.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.52 -49.89 66.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -58.83 -32.54 69.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -79.64 -32.69 41.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.837 ' CE2' HD13 ' A' ' 35' ' ' ILE . 3.3 t80 -38.62 -52.48 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.503 HG13 ' CB ' ' A' ' 25' ' ' THR . 53.2 t -67.94 -70.21 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -43.16 -22.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.441 ' O ' ' CA ' ' A' ' 27' ' ' ALA . 69.6 mm-40 -98.37 -75.57 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.453 HG22 HG11 ' A' ' 33' ' ' VAL . 24.7 t -60.13 -58.35 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.503 ' CB ' HG13 ' A' ' 21' ' ' VAL . 89.5 m -56.84 -67.51 0.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -83.07 34.23 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.522 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -58.99 166.48 2.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.517 ' HB3' HD22 ' A' ' 31' ' ' LEU . 21.6 tt0 -50.5 154.49 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.456 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -50.84 139.09 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.413 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 5.1 p-10 37.77 49.83 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.522 HD23 ' HB1' ' A' ' 27' ' ' ALA . 12.8 tp -115.49 123.9 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.558 ' CZ3' ' HG3' ' A' ' 93' ' ' GLU . 73.8 m95 -84.04 112.12 19.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.715 HG13 ' HG2' ' A' ' 63' ' ' LYS . 91.1 t -110.64 120.39 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.534 HG11 HD22 ' A' ' 116' ' ' LEU . 91.7 t -109.6 109.9 30.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.837 HD13 ' CE2' ' A' ' 20' ' ' TYR . 9.3 tt -98.62 145.8 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -137.23 112.74 9.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.507 HD12 ' HB ' ' A' ' 83' ' ' THR . 8.6 mt -79.21 99.55 7.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -90.29 157.57 17.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -151.03 122.45 7.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -53.49 -25.98 18.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.6 m -71.21 -33.77 70.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 t -90.94 120.16 68.74 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -25.27 28.69 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -51.24 60.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 46' ' ' LEU . 1.9 p -42.27 -42.34 3.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.438 ' N ' ' SG ' ' A' ' 45' ' ' CYS . 85.4 mt -45.3 -59.55 2.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.431 HG12 ' NE2' ' A' ' 51' ' ' HIS . 21.6 t -55.12 -41.1 57.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.4 t -61.62 -41.75 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -67.02 -32.29 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -63.79 -41.68 97.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.431 ' NE2' HG12 ' A' ' 47' ' ' VAL . 31.8 m-70 -73.19 -51.11 19.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.579 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.6 mt -47.11 -23.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -71.7 -55.38 7.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -72.42 -29.16 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.36 -17.75 62.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.419 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -80.11 -43.75 21.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.078 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.79 -27.49 55.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HG2' ' CE1' ' A' ' 59' ' ' PHE . 40.7 tttt -74.49 -44.23 52.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.405 ' CE1' ' HG2' ' A' ' 58' ' ' LYS . 36.7 m-85 -117.02 83.75 15.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.694 0.759 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.65 30.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.307 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -70.26 -25.0 63.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.4 m -95.75 129.38 42.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.715 ' HG2' HG13 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -74.58 136.99 42.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.419 ' CD2' ' HA ' ' A' ' 56' ' ' ALA . 88.9 m-85 -131.56 112.37 12.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.46 148.54 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -129.32 143.16 50.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.77 154.54 43.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.8 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 29.0 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 16.2 mt -72.64 153.22 91.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.566 0.698 . . . . 0.0 110.949 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.72 176.94 30.51 Favored 'Cis proline' 0 C--O 1.232 0.212 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.39 -0.157 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.507 ' HB ' HD12 ' A' ' 37' ' ' LEU . 27.5 m -149.64 133.83 17.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.6 mt -135.32 141.01 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.409 ' O ' HG22 ' A' ' 35' ' ' ILE . 48.3 m-85 -139.78 109.88 6.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.5 t -88.7 136.63 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 23.9 m-85 -125.01 134.14 52.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -110.67 -57.93 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -128.77 39.79 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 90.04 21.97 37.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.51 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 1.0 OUTLIER -130.66 -175.43 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.32 . . . . 0.0 110.936 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.508 HG21 ' HE2' ' A' ' 95' ' ' LYS . 39.7 mt -104.57 83.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.558 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 40.0 mm-40 -56.81 -37.58 71.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -161.67 136.91 4.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.508 ' HE2' HG21 ' A' ' 92' ' ' ILE . 15.3 ptpt -129.9 144.53 51.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.329 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.466 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 3.0 m-85 -134.12 105.73 6.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.7 mp -117.18 117.52 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.57 130.74 4.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.426 HG22 ' HA2' ' A' ' 104' ' ' GLY . 97.2 mt -43.63 -45.79 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 111.096 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.464 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.1 mp -71.73 -40.14 69.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.43 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 13.2 mt-10 -61.04 -23.42 65.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.416 ' C ' ' HE3' ' A' ' 115' ' ' LYS . 30.5 t -101.33 22.32 12.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.29 -41.42 2.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 107' ' ' LEU . . . 109.93 159.96 18.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 1.026 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.3 pp -44.58 -25.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 111.122 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 1.026 ' N ' HD12 ' A' ' 105' ' ' ILE . 25.8 m120 -90.17 24.2 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.805 HD21 ' HB2' ' A' ' 112' ' ' LEU . 63.5 tp -62.65 119.02 8.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -88.84 147.03 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.0 tp -43.69 -31.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -80.72 -52.93 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -40.99 -54.52 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.805 ' HB2' HD21 ' A' ' 107' ' ' LEU . 45.1 tp -65.7 -35.7 81.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.502 ' O ' HD11 ' A' ' 122' ' ' ILE . 34.4 tt0 -56.92 -35.55 69.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.6 t90 -73.86 -54.49 7.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.607 ' O ' HG23 ' A' ' 119' ' ' VAL . 30.2 mttm -38.65 -51.78 1.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.534 HD22 HG11 ' A' ' 34' ' ' VAL . 17.2 mt -65.75 -31.12 71.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.9 t -72.98 -62.45 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -40.21 -27.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 115' ' ' LYS . 81.6 t -78.91 -39.31 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 123.76 2.23 8.78 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.18 -45.37 60.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.725 0.298 . . . . 0.0 111.067 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.502 HD11 ' O ' ' A' ' 113' ' ' GLU . 35.8 pt -134.64 -175.33 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -122.12 103.2 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.4 p -88.88 178.41 6.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.868 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.4 mttm . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.786 0.326 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -105.05 -176.07 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.67 41.81 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -175.35 162.58 2.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.3 tp -83.83 126.26 32.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -115.39 -178.22 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -137.64 147.19 44.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 20' ' ' TYR . 37.9 pt -134.31 171.21 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.9 p -102.68 177.5 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -57.49 -74.77 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.457 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -39.88 -33.05 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' TYR . 16.0 mm-40 -75.69 -39.55 57.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.702 ' CE2' HD13 ' A' ' 35' ' ' ILE . 2.1 t80 -35.4 -48.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.595 HG13 ' CB ' ' A' ' 25' ' ' THR . 91.9 t -73.57 -67.02 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -46.55 -18.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.947 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 5.5 mm-40 -101.36 -68.85 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.411 HG12 ' CG ' ' A' ' 87' ' ' TYR . 39.8 t -66.62 -51.76 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.595 ' CB ' HG13 ' A' ' 21' ' ' VAL . 28.7 m -66.95 -68.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -78.27 40.09 0.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.947 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -81.62 166.61 20.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 22.1 tt0 -53.89 151.68 6.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' LYS . 10.8 tttm -64.06 -59.54 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -89.22 50.83 2.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 5.9 tp -138.7 138.53 37.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.551 ' CZ2' ' HE3' ' A' ' 88' ' ' LYS . 91.3 m95 -102.46 119.59 39.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.1 t -113.92 101.99 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.594 HG22 HG22 ' A' ' 86' ' ' VAL . 94.6 t -97.71 101.31 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.702 HD13 ' CE2' ' A' ' 20' ' ' TYR . 13.0 tt -92.83 146.5 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -130.18 102.08 6.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.0 mt -64.71 120.31 12.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.455 ' CD1' ' HB2' ' A' ' 66' ' ' LYS . 16.4 p90 -128.32 141.93 51.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.731 ' CG ' HG23 ' A' ' 42' ' ' VAL . 2.0 ptp180 -117.96 24.5 10.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 39' ' ' ARG . 1.2 t 37.43 27.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' ARG . 1.9 m -131.5 -32.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.731 HG23 ' CG ' ' A' ' 39' ' ' ARG . 5.2 t -78.56 136.34 59.8 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.623 0.725 . . . . 0.0 111.156 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 53.8 Cg_endo -69.76 -36.42 10.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.365 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.405 ' SD ' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -58.95 -40.25 84.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.42 -51.32 47.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.2 mt -43.86 -45.42 7.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.441 HG12 ' NE2' ' A' ' 51' ' ' HIS . 90.2 t -67.35 -44.5 87.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 52' ' ' LEU . 54.0 t -58.44 -44.12 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -59.65 -40.55 88.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -57.16 -46.86 82.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.486 ' CB ' HD23 ' A' ' 112' ' ' LEU . 20.0 m-70 -68.06 -51.39 47.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.631 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.456 ' CD1' HG12 ' A' ' 48' ' ' VAL . 55.7 mt -51.98 -38.26 56.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.9 t -54.69 -57.21 12.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.0 p -72.06 -29.8 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt -71.22 -18.57 62.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.438 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . . . -76.38 -43.04 42.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.078 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -80.23 -38.62 30.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -64.3 -43.87 93.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -116.34 92.31 36.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.718 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -33.42 16.52 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.661 2.24 . . . . 0.0 112.361 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -54.04 -49.47 68.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 87.2 m -70.95 127.06 31.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -93.37 89.76 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.438 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 40.4 m-85 -76.37 135.29 39.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.7 m -150.07 137.2 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . 28.7 pttt -110.03 137.59 47.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.08 134.59 38.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 85.6 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.413 ' O ' HG23 ' A' ' 97' ' ' ILE . 6.0 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.859 0.361 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.54 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 25.1 mt -90.24 154.77 46.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.71 173.52 44.09 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.309 -0.159 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.541 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 51.5 m -147.35 141.72 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.602 HG23 ' O ' ' A' ' 35' ' ' ILE . 58.7 mt -143.74 136.32 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.184 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.541 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 71.8 m-85 -133.25 118.58 18.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.594 HG22 HG22 ' A' ' 34' ' ' VAL . 43.1 t -92.55 127.28 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.411 ' CG ' HG12 ' A' ' 24' ' ' VAL . 14.0 m-85 -118.93 132.76 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.551 ' HE3' ' CZ2' ' A' ' 32' ' ' TRP . 18.8 tptp -124.07 -48.4 1.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -126.42 41.97 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.5 23.52 67.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -134.7 -174.43 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.627 HG21 ' HE2' ' A' ' 95' ' ' LYS . 81.9 mt -105.72 84.14 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -54.13 -36.16 62.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -163.75 123.88 1.22 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.627 ' HE2' HG21 ' A' ' 92' ' ' ILE . 18.8 ptpt -115.58 148.4 39.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 2.3 m-85 -137.4 105.36 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.487 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.6 mp -118.24 119.44 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 117.93 137.89 5.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.519 HD13 ' CD ' ' A' ' 82' ' ' PRO . 39.1 mm -41.14 -62.32 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 111.111 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.7 mt -57.68 -51.84 65.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.458 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 11.8 mt-10 -47.59 -37.62 12.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.612 ' O ' HD22 ' A' ' 107' ' ' LEU . 1.8 m -90.56 28.75 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.452 ' HA3' HD22 ' A' ' 107' ' ' LEU . . . 97.56 -53.2 1.3 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.543 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.471 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 117.64 162.64 12.55 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.577 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -55.91 -16.81 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.339 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.577 ' N ' HD12 ' A' ' 105' ' ' ILE . 11.9 p30 -111.66 25.46 11.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.875 HD21 ' HB2' ' A' ' 112' ' ' LEU . 22.9 tp -71.2 125.91 28.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -78.02 165.44 24.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 51' ' ' HIS . 30.1 tp -66.24 -38.68 88.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -73.56 -44.64 56.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -48.71 -56.71 7.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.875 ' HB2' HD21 ' A' ' 107' ' ' LEU . 40.9 tp -55.45 -45.36 76.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.433 ' O ' HD11 ' A' ' 122' ' ' ILE . 37.7 tt0 -45.99 -42.34 13.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.452 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.0 t90 -60.11 -52.45 65.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.498 ' O ' HG23 ' A' ' 119' ' ' VAL . 35.2 mttm -40.43 -49.33 2.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.3 mt -68.52 -31.16 70.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 120' ' ' GLY . 13.9 t -72.72 -62.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -40.49 -35.08 0.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 115' ' ' LYS . 89.2 t -72.67 -39.11 60.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.506 ' O ' ' CZ2' ' A' ' 32' ' ' TRP . . . 122.67 8.35 6.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.513 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -75.78 -47.43 25.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.744 0.307 . . . . 0.0 111.08 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.433 HD11 ' O ' ' A' ' 113' ' ' GLU . 23.5 pt -132.9 179.89 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -118.69 99.89 7.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.3 p -99.66 147.02 25.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.583 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 1.4 ptmm? . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.583 ' CE1' ' HG3' ' A' ' 8' ' ' LYS . 13.5 m-85 -122.32 -72.68 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.09 40.25 95.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.84 159.33 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.9 tp -97.5 133.34 42.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.2 mmm-85 -120.76 177.94 4.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -135.28 138.85 43.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 20' ' ' TYR . 30.3 pt -132.51 168.42 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 p -99.51 177.92 5.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -58.05 -75.48 0.26 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.408 ' O ' ' OD1' ' A' ' 22' ' ' ASN . 40.9 m-20 -39.07 -34.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 20' ' ' TYR . 13.7 mm-40 -72.7 -40.19 66.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.754 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.9 t80 -33.74 -47.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.409 ' C ' ' N ' ' A' ' 23' ' ' GLU . 88.0 t -69.32 -69.45 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.147 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 18' ' ' ASN . 1.5 m120 -45.21 -21.18 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.587 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 74.9 mm-40 -100.14 -75.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.519 HG12 ' CG ' ' A' ' 87' ' ' TYR . 47.0 t -57.26 -54.93 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.5 m -63.38 -66.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.172 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -81.75 37.8 0.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -67.51 171.24 6.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.759 ' HB3' HD22 ' A' ' 31' ' ' LEU . 4.3 tp10 -50.96 147.25 5.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 23.0 tttp -56.82 137.39 54.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER 46.0 48.26 12.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.759 HD22 ' HB3' ' A' ' 28' ' ' GLU . 6.0 tp -122.72 140.48 52.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.555 ' CZ3' ' HG3' ' A' ' 93' ' ' GLU . 94.3 m95 -90.38 127.13 36.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.418 HG11 ' HA ' ' A' ' 24' ' ' VAL . 98.9 t -126.64 111.55 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.489 HG22 HG22 ' A' ' 86' ' ' VAL . 68.9 t -105.49 103.79 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.754 HD13 ' CD2' ' A' ' 20' ' ' TYR . 8.4 tt -96.07 143.62 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -131.86 124.85 30.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.703 HD12 ' HB ' ' A' ' 83' ' ' THR . 10.7 mt -95.44 146.24 24.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.436 ' CB ' ' HB2' ' A' ' 45' ' ' CYS . 21.0 p90 -146.0 139.6 26.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.682 ' CG ' HG23 ' A' ' 42' ' ' VAL . 13.3 ptm180 -110.71 23.15 14.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.6 m 40.51 25.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 39' ' ' ARG . 3.6 p -128.02 -30.16 2.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.682 HG23 ' CG ' ' A' ' 39' ' ' ARG . 2.3 t -81.15 136.79 49.71 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.646 0.736 . . . . 0.0 111.162 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.489 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 54.1 Cg_endo -69.75 -10.36 28.38 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' ' 46' ' ' LEU . 7.5 mtp -87.2 -59.4 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.492 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 16.4 p -37.63 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 44' ' ' MET . 69.5 mt -68.44 -64.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 44' ' ' MET . 6.4 p -55.45 -38.89 50.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.14 -41.98 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 45' ' ' CYS . 15.5 m-80 -58.09 -43.95 87.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -58.07 -46.29 85.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 109' ' ' LEU . 10.4 m-70 -61.65 -47.96 83.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.8 mt -45.37 -56.24 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 p -47.54 -39.03 15.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.4 t -77.73 -36.45 22.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.534 HD13 ' CD1' ' A' ' 116' ' ' LEU . 30.8 mt -69.04 -30.69 69.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.446 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -66.34 -47.25 74.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.094 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -75.12 -29.26 60.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.59 ' HE3' ' CZ ' ' A' ' 59' ' ' PHE . 29.3 ttpt -71.58 -47.2 56.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.59 ' CZ ' ' HE3' ' A' ' 58' ' ' LYS . 33.2 m-85 -121.61 94.42 48.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.671 0.748 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.5 Cg_endo -69.73 -35.14 13.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.707 2.271 . . . . 0.0 112.353 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -55.1 -44.68 75.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.5 m -78.38 125.09 28.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -75.24 141.52 43.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.446 ' CD2' ' HA ' ' A' ' 56' ' ' ALA . 98.0 m-85 -131.96 120.15 22.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.1 m -143.23 138.91 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.89 138.75 51.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.47 152.63 50.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 90.3 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.872 0.368 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 56.9 mt -85.26 155.36 60.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.566 0.698 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.0 Cg_endo -69.76 160.45 88.01 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.377 -0.166 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.703 ' HB ' HD12 ' A' ' 37' ' ' LEU . 87.6 m -138.37 124.04 19.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.4 mt -121.73 125.5 73.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.569 ' O ' HG22 ' A' ' 35' ' ' ILE . 38.9 m-85 -122.86 116.97 24.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.489 HG22 HG22 ' A' ' 34' ' ' VAL . 66.6 t -95.71 134.26 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.519 ' CG ' HG12 ' A' ' 24' ' ' VAL . 7.6 m-85 -122.52 133.77 54.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . 15.0 tptp -121.87 -58.39 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -121.46 46.22 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.34 19.44 78.27 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -134.93 176.43 8.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 77.6 mt -95.43 90.59 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 13.3 mm-40 -63.91 -32.99 74.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.89 123.22 1.21 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.459 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -114.7 139.88 49.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 3.1 m-85 -129.46 101.68 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.479 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.7 mp -117.42 121.45 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.85 134.7 6.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.484 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.454 HG23 ' SD ' ' A' ' 44' ' ' MET . 47.4 mt -42.81 -56.6 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 111.158 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mp -58.49 -53.92 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 16.9 mt-10 -47.16 -35.81 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.6 t -90.23 31.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.456 ' N ' ' HE3' ' A' ' 115' ' ' LYS . . . 89.25 -47.05 3.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.455 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 118.95 166.86 13.62 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.577 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -57.06 -13.71 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 111.12 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.577 ' N ' HD12 ' A' ' 105' ' ' ILE . 76.7 m-20 -93.28 -16.37 24.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.669 HD21 ' HB2' ' A' ' 112' ' ' LEU . 3.5 tp -34.96 121.25 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.1 157.48 16.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.497 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 4.9 tp -46.69 -42.22 16.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -70.06 -41.47 74.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -53.46 -54.85 31.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.669 ' HB2' HD21 ' A' ' 107' ' ' LEU . 35.1 tp -57.83 -47.35 82.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.718 ' O ' HD11 ' A' ' 122' ' ' ILE . 20.7 tt0 -44.25 -43.45 7.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.481 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.9 t90 -65.29 -53.66 40.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.456 ' HE3' ' N ' ' A' ' 103' ' ' GLY . 19.8 mttm -38.75 -51.14 1.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.534 ' CD1' HD13 ' A' ' 55' ' ' LEU . 13.3 mt -66.72 -31.52 72.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 114' ' ' TRP . 12.3 t -71.76 -60.57 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -41.16 -34.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 73.5 t -73.58 -37.62 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 118.65 10.34 8.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.514 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -78.67 -43.73 25.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.75 0.309 . . . . 0.0 111.09 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.718 HD11 ' O ' ' A' ' 113' ' ' GLU . 19.6 pt -132.13 -179.02 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -116.77 102.08 9.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.8 p -90.24 175.16 7.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.572 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.815 0.341 . . . . 0.0 110.922 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.572 ' CE1' ' HG3' ' A' ' 8' ' ' LYS . 6.2 m-85 -112.37 -176.99 3.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.26 37.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.539 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -174.99 166.76 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.478 HD21 ' HD3' ' A' ' 66' ' ' LYS . 22.9 tp -94.36 108.51 20.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.7 mtp85 -97.25 167.81 10.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -119.15 131.98 55.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 20' ' ' TYR . 42.7 pt -123.49 165.21 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.1 p -95.29 161.78 13.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 20' ' ' TYR . . . -48.25 -59.06 6.66 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -52.82 -30.85 35.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 20' ' ' TYR . 26.5 mm100 -76.87 -40.04 48.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.839 ' CE2' HD13 ' A' ' 35' ' ' ILE . 1.5 t80 -34.42 -45.85 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.917 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.4 t -69.41 -71.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -43.56 -23.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.625 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 45.4 mm-40 -96.87 -73.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 20' ' ' TYR . 39.3 t -59.15 -56.2 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 m -61.72 -70.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -81.94 39.13 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.715 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -63.58 153.81 34.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.448 ' HB3' HD22 ' A' ' 31' ' ' LEU . 4.7 tp10 -38.3 152.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 30' ' ' ASP . 2.3 tppp? -49.29 141.48 8.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' LYS . 3.1 m-20 33.84 50.46 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.715 HD23 ' HB1' ' A' ' 27' ' ' ALA . 11.5 tp -112.9 121.5 44.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.562 ' CE3' ' HA ' ' A' ' 121' ' ' ALA . 80.6 m95 -79.23 115.02 18.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.2 t -114.15 121.82 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.564 HG11 HD22 ' A' ' 116' ' ' LEU . 94.5 t -114.43 101.54 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.839 HD13 ' CE2' ' A' ' 20' ' ' TYR . 14.9 tt -95.12 152.44 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.535 ' CE1' ' HB3' ' A' ' 38' ' ' TYR . 9.7 t-80 -140.64 121.32 14.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.477 HD12 ' HB ' ' A' ' 83' ' ' THR . 9.0 mt -85.5 111.83 20.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.535 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 4.1 p90 -121.71 158.83 27.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -144.37 179.17 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 t -102.2 34.26 2.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 m -132.36 -29.93 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.479 HG12 ' H ' ' A' ' 44' ' ' MET . 12.0 t -91.57 123.81 62.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.651 0.739 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -22.57 31.83 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.595 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -73.49 -65.05 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 44' ' ' MET . 8.8 p -36.01 -33.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' MET . 31.6 mt -53.47 -64.25 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 44' ' ' MET . 5.9 p -57.13 -36.63 52.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.572 HG23 ' SD ' ' A' ' 44' ' ' MET . 93.1 t -55.88 -45.85 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.165 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -59.67 -44.78 93.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -49.22 -50.86 36.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.446 ' NE2' ' O ' ' A' ' 107' ' ' LEU . 69.9 m-70 -65.95 -46.84 76.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.574 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.462 HD12 HG12 ' A' ' 48' ' ' VAL . 35.6 mt -57.47 -27.0 62.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -69.57 -51.38 35.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.2 p -74.98 -28.99 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.159 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.5 mt -70.45 -19.08 62.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.77 -49.64 57.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.429 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 2.2 ptm85 -70.71 -38.91 73.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -57.58 -49.32 76.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.433 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 46.4 m-85 -111.93 84.16 5.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.649 0.738 . . . . 0.0 110.925 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -18.19 37.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.309 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -71.19 -43.1 68.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.6 m -85.05 130.64 34.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.177 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.411 ' HD2' ' CZ ' ' A' ' 9' ' ' PHE . 10.9 tttt -76.48 141.23 41.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -132.79 116.72 16.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.7 m -134.41 142.26 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.478 ' HD3' HD21 ' A' ' 12' ' ' LEU . 16.5 pttt -119.25 130.82 55.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.61 139.54 45.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.527 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 36.9 mm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.504 ' HB3' HG23 ' A' ' 97' ' ' ILE . 1.8 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.858 0.361 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.549 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 31.1 mt -34.99 152.83 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.585 0.707 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.4 Cg_endo -69.76 164.3 79.57 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.323 -0.104 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.491 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 33.5 m -134.57 130.64 36.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.1 mt -130.66 135.98 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.491 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 67.3 m-85 -134.84 121.89 21.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.523 HG22 HG22 ' A' ' 34' ' ' VAL . 97.6 t -100.74 134.98 38.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.484 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 26.7 m-85 -127.3 136.65 52.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.512 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -122.41 -60.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -117.47 43.16 2.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.54 29.79 54.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.484 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 58.5 mt-30 -140.79 -176.97 4.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.756 0.312 . . . . 0.0 110.935 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 86.7 mt -102.31 89.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -60.58 -33.86 73.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -172.08 124.8 1.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -110.34 155.96 21.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -139.52 108.09 5.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.504 HG23 ' HB3' ' A' ' 80' ' ' CYS . 4.8 mp -121.73 126.18 74.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.41 130.06 6.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.661 HG22 ' HA2' ' A' ' 104' ' ' GLY . 84.6 mt -38.49 -59.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 111.108 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.0 mt -54.14 -55.41 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.443 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 9.5 mt-10 -47.1 -37.54 9.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 28.0 m -88.93 28.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.505 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 90.69 -43.2 2.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.661 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 112.15 176.72 19.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.656 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -59.75 -19.4 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.825 0.345 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.656 ' N ' HD12 ' A' ' 105' ' ' ILE . 43.1 m-20 -98.77 25.19 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.684 HD11 ' HB2' ' A' ' 112' ' ' LEU . 54.2 tp -60.42 109.39 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -84.95 152.88 23.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 47.9 tp -49.93 -40.09 42.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -73.29 -49.4 27.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -48.8 -57.43 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.684 ' HB2' HD11 ' A' ' 107' ' ' LEU . 51.9 tp -58.81 -46.34 87.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.525 ' O ' HD11 ' A' ' 122' ' ' ILE . 28.5 tt0 -44.62 -43.57 8.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.496 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.9 t90 -61.93 -56.27 20.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.443 ' HE3' ' N ' ' A' ' 103' ' ' GLY . 20.3 mttm -38.11 -52.17 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.564 HD22 HG11 ' A' ' 34' ' ' VAL . 13.5 mt -64.11 -32.59 74.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 114' ' ' TRP . 10.6 t -70.97 -60.14 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -42.64 -33.71 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 53.2 t -70.92 -38.06 70.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.532 ' O ' ' CZ2' ' A' ' 32' ' ' TRP . . . 121.46 8.86 7.44 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.562 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -77.51 -51.91 9.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.525 HD11 ' O ' ' A' ' 113' ' ' GLU . 35.3 pt -125.32 -179.16 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.468 ' O ' ' CD ' ' A' ' 123' ' ' GLN . 0.0 OUTLIER -123.91 94.52 4.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 125' ' ' ASP . 28.5 t -102.98 133.42 48.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 124' ' ' SER . 5.1 m-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.9 p -134.85 159.17 42.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -114.02 -62.01 1.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.5 92.0 0.25 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 p -68.61 108.58 3.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 m -81.01 138.71 36.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.21 141.5 34.26 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -118.77 -36.57 3.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.913 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -103.33 -177.45 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.24 37.38 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -170.22 165.01 9.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.5 tp -95.53 121.59 37.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.7 mtm-85 -116.37 167.3 11.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -119.11 143.86 46.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 20' ' ' TYR . 29.7 pt -129.0 161.53 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -87.42 176.32 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.27 -64.8 3.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -51.34 -23.71 3.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.758 0.314 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -80.8 -34.69 33.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.572 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.7 t80 -41.43 -46.05 3.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.9 t -72.73 -69.33 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -46.66 -20.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -95.25 -74.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.56 HG22 HG11 ' A' ' 33' ' ' VAL . 14.1 t -63.15 -64.95 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.4 m -48.43 -56.82 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -84.3 25.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 24' ' ' VAL . . . -67.59 172.01 5.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.456 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 4.8 tp10 -56.82 174.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -79.59 -69.24 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -84.92 45.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 12.3 tp -122.53 147.16 46.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.536 ' CZ3' ' HG3' ' A' ' 93' ' ' GLU . 80.0 m95 -113.3 107.38 15.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.56 HG11 HG22 ' A' ' 24' ' ' VAL . 66.9 t -100.53 113.63 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.577 HG11 HD22 ' A' ' 116' ' ' LEU . 85.6 t -109.95 107.33 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.572 HD13 ' CD2' ' A' ' 20' ' ' TYR . 12.2 tt -97.92 147.07 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.567 ' CE1' ' HB ' ' A' ' 48' ' ' VAL . 6.0 t-80 -138.86 106.65 5.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.499 HD12 ' HB ' ' A' ' 83' ' ' THR . 6.6 mt -73.16 122.78 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -122.0 151.81 40.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -138.08 131.46 30.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.4 t -56.54 -14.4 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 p -85.75 -39.54 17.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 t -88.33 122.52 69.6 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.625 0.726 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.537 ' HA ' HD12 ' A' ' 46' ' ' LEU . 53.7 Cg_endo -69.78 -44.28 2.15 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.519 ' HE1' ' O ' ' A' ' 104' ' ' GLY . 0.0 OUTLIER -43.55 -55.92 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' VAL . 33.5 m -48.94 -58.46 4.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 43' ' ' PRO . 61.0 mt -36.49 -48.01 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.2 t -67.26 -41.75 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 39.9 t -58.65 -32.38 46.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -69.65 -36.9 76.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -56.19 -44.23 79.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.52 ' HB3' HD12 ' A' ' 109' ' ' LEU . 34.4 m-70 -67.79 -39.71 84.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.608 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.54 -22.74 67.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.6 t -70.03 -45.01 68.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.475 ' CG1' HD11 ' A' ' 109' ' ' LEU . 7.1 p -85.27 -27.46 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.7 mt -71.61 -16.08 62.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.971 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.05 -40.0 54.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 1.1 ptm85 -81.18 -21.89 39.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -77.79 -41.52 37.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -124.82 86.36 56.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -19.91 35.29 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.669 2.246 . . . . 0.0 112.334 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -66.69 -43.95 83.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 32' ' ' TRP . 39.3 m -80.53 125.21 29.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.12 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -79.97 115.12 19.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -104.74 135.75 45.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.1 m -153.03 151.7 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.01 146.71 50.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.58 147.96 32.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.2 mt -89.23 144.42 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.548 ' O ' HG12 ' A' ' 69' ' ' VAL . 12.9 t -83.81 33.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -82.71 93.18 7.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 t 67.67 35.39 4.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 4.5 m -101.91 -44.76 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.444 HG22 ' N ' ' A' ' 74' ' ' GLU . 5.6 mm -121.39 156.57 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.444 ' N ' HG22 ' A' ' 73' ' ' ILE . 26.9 mt-10 -97.35 -67.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -38.55 -54.14 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -41.9 105.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.525 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 21.1 p80 -110.74 -53.27 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.525 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 7.5 t70 -170.0 166.26 9.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.8 t30 54.46 49.26 18.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.5 m -125.93 -50.33 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.524 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 34.0 mt -71.35 155.9 92.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.573 0.701 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.72 163.44 81.72 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.377 -0.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.614 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 21.4 m -139.8 126.44 20.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.181 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 77.8 mt -127.24 136.05 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.614 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 62.1 m-85 -130.13 137.77 50.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.467 HG13 HG22 ' A' ' 34' ' ' VAL . 16.6 t -115.01 117.12 54.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.535 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 35.9 m-85 -115.94 128.88 56.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -109.18 -60.87 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -124.31 43.31 3.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.43 25.06 44.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.478 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.535 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 9.7 pt20 -131.13 -177.65 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.0 mt -106.06 83.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.536 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 6.0 mm-40 -54.96 -39.68 69.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -168.18 132.45 2.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.463 ' HG3' ' CD1' ' A' ' 97' ' ' ILE . 0.7 OUTLIER -122.6 149.97 43.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.556 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.6 OUTLIER -138.0 113.87 9.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.463 ' CD1' ' HG3' ' A' ' 95' ' ' LYS . 5.2 mp -121.31 125.92 74.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.81 141.0 8.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.48 HG22 ' HA2' ' A' ' 104' ' ' GLY . 78.8 mt -50.6 -48.12 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 111.163 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.712 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.2 mp -64.45 -51.63 65.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -53.69 -28.83 35.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.9 m -96.01 23.26 6.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.41 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 98.7 -55.91 1.01 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.442 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.519 ' O ' ' HE1' ' A' ' 44' ' ' MET . . . 119.69 166.96 13.47 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.652 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -55.32 -14.48 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 111.142 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.652 ' N ' HD12 ' A' ' 105' ' ' ILE . 10.5 p30 -109.45 23.27 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.508 HD21 ' HB2' ' A' ' 112' ' ' LEU . 9.6 tp -67.28 132.1 47.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -91.36 166.54 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.52 HD12 ' HB3' ' A' ' 51' ' ' HIS . 14.2 tp -66.78 -27.95 68.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -80.91 -44.17 18.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -48.56 -54.74 13.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.508 ' HB2' HD21 ' A' ' 107' ' ' LEU . 49.5 tp -64.88 -41.29 95.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.473 ' O ' HD11 ' A' ' 122' ' ' ILE . 40.2 tt0 -52.47 -20.49 2.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.481 ' O ' ' N ' ' A' ' 117' ' ' SER . 18.1 t90 -88.75 -52.47 5.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.563 ' O ' HG23 ' A' ' 119' ' ' VAL . 23.9 mttp -38.87 -51.88 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.577 HD22 HG11 ' A' ' 34' ' ' VAL . 12.8 mt -65.5 -31.39 72.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.4 t -70.48 -58.33 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -47.09 -24.67 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 115' ' ' LYS . 95.6 t -81.38 -37.15 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.074 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 123.22 1.33 9.41 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.25 -39.85 68.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.768 0.318 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.473 HD11 ' O ' ' A' ' 113' ' ' GLU . 36.3 pt -140.59 179.97 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.94 91.21 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.2 t -85.58 178.27 7.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -100.76 -30.69 11.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.448 HD23 ' H ' ' A' ' 126' ' ' LEU . 0.6 OUTLIER -40.52 136.53 1.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -39.61 123.57 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.78 165.9 15.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 130' ' ' SER . 33.4 m120 -94.46 156.2 16.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 129' ' ' ASN . 72.2 m -35.81 -47.51 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 148.76 87.22 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -39.23 6.87 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.368 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.6 t -122.02 -51.68 2.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.3 t -56.97 -55.82 29.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m -133.44 139.79 46.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.863 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t -157.66 149.12 21.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.14 -130.99 1.68 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 m -114.27 163.08 15.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.879 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -139.63 173.13 11.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.51 139.66 2.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -108.48 -48.14 3.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.798 0.332 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -99.67 -176.05 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.94 33.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -174.85 143.58 0.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.0 tp -74.06 125.11 27.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -108.42 -176.04 2.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.513 ' HB2' ' HZ1' ' A' ' 66' ' ' LYS . 1.6 tm-20 -137.15 130.12 30.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' ' 20' ' ' TYR . 26.9 pt -125.89 162.08 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.53 168.39 10.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.41 -64.0 4.7 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -45.99 -30.23 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.321 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 20' ' ' TYR . 55.8 mm-40 -80.99 -35.79 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.695 ' CD2' HD13 ' A' ' 35' ' ' ILE . 2.8 t80 -34.26 -45.25 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.1 t -72.67 -59.23 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.168 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -54.96 -14.26 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -105.15 -70.54 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.631 HG22 HG11 ' A' ' 33' ' ' VAL . 61.3 t -65.62 -71.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 83.4 m -40.86 -65.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -84.04 31.99 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -58.87 155.06 13.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.494 ' HB3' HD22 ' A' ' 31' ' ' LEU . 25.6 tt0 -44.35 156.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -66.17 131.44 46.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 57.08 42.72 25.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 28' ' ' GLU . 15.5 tp -115.4 136.62 52.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.584 ' CZ2' ' HE2' ' A' ' 88' ' ' LYS . 87.9 m95 -91.58 104.93 17.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.631 HG11 HG22 ' A' ' 24' ' ' VAL . 76.8 t -106.12 114.47 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.126 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.542 HG11 HD22 ' A' ' 116' ' ' LEU . 59.9 t -113.08 99.76 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.183 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.695 HD13 ' CD2' ' A' ' 20' ' ' TYR . 11.4 tt -92.24 149.76 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -140.34 112.73 7.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.828 HD22 HG22 ' A' ' 69' ' ' VAL . 7.4 mt -76.18 88.97 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -83.8 152.97 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.54 ' HG3' HD13 ' A' ' 81' ' ' LEU . 14.1 mmm180 -146.79 141.67 26.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.2 t -66.82 -44.39 81.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.5 m -53.49 -39.72 64.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 77' ' ' HIS . 5.9 t -88.74 125.06 64.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.587 0.708 . . . . 0.0 111.177 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -50.56 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.713 2.275 . . . . 0.0 112.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.93 -57.48 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.1 m -38.11 -58.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.1 mt -38.0 -51.92 1.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.96 -42.79 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.5 t -60.94 -36.33 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -70.25 -38.57 75.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -57.8 -50.08 74.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -65.89 -40.04 91.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.557 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.4 mt -56.41 -50.62 71.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.8 t -45.3 -43.11 10.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.2 t -78.34 -45.6 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.853 HD21 ' HG2' ' A' ' 113' ' ' GLU . 11.9 mt -60.08 -11.24 5.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.64 -38.88 17.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -81.78 -18.6 43.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 tttt -84.6 -44.4 13.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -115.71 92.11 32.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -26.43 27.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.268 . . . . 0.0 112.357 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -59.94 -52.62 64.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 85.6 m -70.35 125.48 26.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.116 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -87.78 97.15 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -86.66 132.3 33.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.1 m -148.64 147.76 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.513 ' HZ1' ' HB2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -127.99 144.53 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.98 129.85 21.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.084 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 88.0 mt -73.15 125.81 32.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.828 HG22 HD22 ' A' ' 37' ' ' LEU . 19.2 t -76.89 55.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -83.29 -45.26 14.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.0 m -100.44 -44.59 5.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.3 m -38.1 -71.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.48 ' CG2' ' HB2' ' A' ' 76' ' ' TYR . 96.6 mt -128.93 115.92 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -61.96 -46.49 89.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -84.0 50.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.48 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 2.7 t80 -132.85 90.86 2.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.549 ' O ' HD12 ' A' ' 81' ' ' LEU . 3.9 p80 -123.15 -67.41 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -132.07 -32.67 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -42.59 -34.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.1 m -132.61 38.44 3.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 77' ' ' HIS . 15.2 mt -143.27 153.53 59.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.73 169.47 63.07 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.333 -0.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 m -146.79 138.37 24.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 71.2 mt -133.95 139.27 48.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -132.23 133.83 44.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.403 HG13 HG22 ' A' ' 34' ' ' VAL . 23.7 t -112.77 127.54 69.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -120.48 134.42 55.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.584 ' HE2' ' CZ2' ' A' ' 32' ' ' TRP . 8.7 tppt? -103.92 -59.87 1.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -131.32 22.88 4.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.2 6.34 15.99 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -122.97 154.06 38.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 0.0 110.952 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.4 mt -77.91 93.52 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -67.78 -28.68 67.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.39 139.45 5.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -131.81 149.04 52.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -134.38 99.62 4.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.441 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.9 mp -113.4 118.28 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.4 147.86 7.59 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.421 HG22 ' HA2' ' A' ' 104' ' ' GLY . 22.5 mm -50.79 -54.83 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.694 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.0 mp -65.93 -46.35 88.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 13.3 mt-10 -54.12 -30.48 48.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.65 ' O ' HD22 ' A' ' 107' ' ' LEU . 38.6 t -87.34 -15.29 38.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.558 ' HA3' HD22 ' A' ' 107' ' ' LEU . . . 131.1 -35.51 2.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.421 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 106.86 155.49 20.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.475 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.858 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -52.17 -23.15 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.133 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.858 ' N ' HD12 ' A' ' 105' ' ' ILE . 0.7 OUTLIER -104.1 26.71 8.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.681 HD21 ' HB2' ' A' ' 112' ' ' LEU . 29.2 tp -66.37 126.52 29.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -83.78 154.08 23.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.3 tp -58.14 -35.62 71.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.48 ' O ' ' CD1' ' A' ' 126' ' ' LEU . 12.3 pt-20 -76.26 -38.1 56.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -56.31 -53.31 58.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.681 ' HB2' HD21 ' A' ' 107' ' ' LEU . 30.1 tp -59.59 -40.41 87.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.853 ' HG2' HD21 ' A' ' 55' ' ' LEU . 36.6 mt-10 -48.59 -31.03 6.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.8 t90 -74.31 -57.03 4.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.404 ' O ' HG23 ' A' ' 119' ' ' VAL . 33.6 mttm -38.72 -51.72 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.542 HD22 HG11 ' A' ' 34' ' ' VAL . 13.0 mt -64.97 -31.22 72.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 120' ' ' GLY . 1.6 t -73.63 -61.57 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -40.81 -26.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 117' ' ' SER . 82.2 t -83.09 -37.91 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 121.62 -1.98 11.15 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.56 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -67.02 -40.24 87.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.744 0.307 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.473 HD11 ' O ' ' A' ' 113' ' ' GLU . 35.6 pt -140.05 -177.31 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -123.64 103.83 8.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 59.8 p -102.87 161.53 13.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -80.53 -41.1 24.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 110' ' ' GLU . 12.4 mt -44.31 136.66 3.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 126' ' ' LEU . 32.7 mt-10 -36.7 141.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -73.58 -178.72 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -88.7 147.76 24.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 35.0 m -70.55 100.9 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 163.51 -179.68 38.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -19.13 36.21 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.254 . . . . 0.0 112.336 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.1 t 43.31 40.13 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.8 t -46.6 -54.8 8.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 t -50.49 108.06 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.1 p 39.09 42.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.67 147.37 6.74 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.458 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.9 p -81.08 140.93 34.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -131.82 148.4 52.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.55 161.07 54.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -108.54 -39.88 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -111.09 -175.53 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.54 40.84 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.489 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.14 179.59 2.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.9 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.6 tp -111.0 136.27 50.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -130.88 -176.66 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -131.69 141.57 49.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 20' ' ' TYR . 39.5 pt -129.94 163.58 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.2 m -90.93 176.57 6.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.49 -65.35 3.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -48.03 -25.49 1.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.333 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 20' ' ' TYR . 15.3 mm100 -82.11 -38.5 24.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.598 ' CE2' HD13 ' A' ' 35' ' ' ILE . 1.8 t80 -36.13 -39.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.537 HG13 ' CB ' ' A' ' 25' ' ' THR . 64.2 t -77.75 -71.23 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -43.82 -22.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' VAL . 5.3 mm-40 -94.42 -72.01 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.585 HG22 HG11 ' A' ' 33' ' ' VAL . 24.1 t -69.54 -71.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.537 ' CB ' HG13 ' A' ' 21' ' ' VAL . 44.1 m -40.85 -66.26 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -84.82 32.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.521 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -60.17 163.8 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -46.14 171.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 30' ' ' ASP . 19.6 tttp -65.08 136.49 56.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER 34.44 46.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.521 HD23 ' HB1' ' A' ' 27' ' ' ALA . 5.0 tp -109.32 129.0 55.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.551 ' CE3' ' HA ' ' A' ' 121' ' ' ALA . 81.0 m95 -79.96 134.67 36.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.585 HG11 HG22 ' A' ' 24' ' ' VAL . 85.6 t -137.49 113.02 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.148 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.0 t -104.19 108.22 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.598 HD13 ' CE2' ' A' ' 20' ' ' TYR . 20.5 tt -98.58 148.97 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.449 ' CE1' ' HB ' ' A' ' 48' ' ' VAL . 22.6 t-80 -138.55 120.18 15.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mt -92.15 104.66 17.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.578 ' CZ ' HD11 ' A' ' 68' ' ' ILE . 23.0 p90 -91.5 163.39 14.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.473 ' HD3' ' CD1' ' A' ' 81' ' ' LEU . 19.9 mtp180 -152.61 132.21 13.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.5 p -58.1 -30.28 66.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 t -72.15 -33.88 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.407 HG21 HD13 ' A' ' 81' ' ' LEU . 9.4 t -87.88 119.62 70.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 111.141 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -46.85 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.362 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -51.79 -52.08 51.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 44' ' ' MET . 25.6 m -35.31 -56.31 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.9 mt -44.23 -47.83 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 67.9 t -59.04 -49.22 84.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.449 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 48.5 t -54.28 -41.3 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.545 ' HA ' HD12 ' A' ' 52' ' ' LEU . 31.0 m-20 -63.71 -38.56 91.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -54.08 -50.69 66.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.541 ' HB3' HD12 ' A' ' 109' ' ' LEU . 14.6 m-70 -67.52 -48.79 66.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.548 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 49' ' ' ASN . 30.2 mt -42.77 -34.92 1.01 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -65.31 -45.82 82.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.5 t -72.98 -38.03 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.8 mt -69.1 -25.96 64.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.36 -44.27 75.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -79.3 -24.92 42.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -71.84 -39.67 69.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -121.79 87.38 46.4 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.68 0.752 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -18.64 37.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.381 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -71.33 -40.35 70.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.8 m -87.25 134.32 33.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HB3' HG22 ' A' ' 33' ' ' VAL . 10.0 tttt -81.63 143.85 31.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -134.26 129.72 36.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.414 HG23 HG13 ' A' ' 35' ' ' ILE . 27.6 m -147.97 169.25 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -144.65 147.56 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.33 145.1 31.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.578 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 7.9 mm -75.56 146.2 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' ASN . 89.7 t -64.41 -43.28 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.468 ' H ' HG22 ' A' ' 68' ' ' ILE . 13.7 t-20 -35.27 113.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 t 66.07 47.83 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 49.3 t -130.19 -60.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.815 HG22 ' H ' ' A' ' 75' ' ' HIS . 25.2 mt -133.62 135.47 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -95.63 -4.25 44.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.815 ' H ' HG22 ' A' ' 73' ' ' ILE . 12.2 m-70 -97.1 36.24 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.53 ' CE2' ' HB3' ' A' ' 80' ' ' CYS . 4.1 m-85 -127.06 96.05 4.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.523 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 14.1 p-80 -93.9 -47.86 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.843 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.523 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 21.6 t0 -173.51 168.75 4.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 47.78 51.48 14.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.53 ' HB3' ' CE2' ' A' ' 76' ' ' TYR . 7.0 m -127.62 -31.28 2.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.542 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 15.2 mt -95.36 152.33 39.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.79 167.1 72.31 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.292 -0.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.443 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 65.1 m -137.06 127.11 25.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.6 mt -126.83 134.95 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.443 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 61.6 m-85 -128.2 122.98 33.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.2 t -102.0 126.19 56.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 23.6 m-85 -121.89 132.98 54.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.548 ' HG3' ' CZ2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -109.54 -63.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -124.14 39.79 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.06 22.57 32.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.528 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 10.3 pt20 -128.83 -177.69 4.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.77 0.319 . . . . 0.0 110.897 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.421 HG22 ' O ' ' A' ' 92' ' ' ILE . 49.9 mt -106.73 83.45 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.5 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 57.0 mm-40 -51.16 -41.65 60.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.54 136.19 4.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -118.98 145.13 46.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.931 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -132.33 98.47 4.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 80' ' ' CYS . 5.2 mp -114.24 115.18 48.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 124.24 148.68 7.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.417 HG22 ' HA2' ' A' ' 104' ' ' GLY . 13.7 mm -53.75 -57.04 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.639 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.4 mp -64.41 -40.78 90.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 10.8 mt-10 -55.23 -25.52 33.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.485 ' O ' HD22 ' A' ' 107' ' ' LEU . 14.3 t -102.86 26.81 7.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.499 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 90.76 -31.91 5.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.417 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 106.44 170.41 22.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.482 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.589 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -60.17 -11.49 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 111.124 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.589 ' N ' HD12 ' A' ' 105' ' ' ILE . 7.3 p30 -105.8 14.48 28.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.499 HD13 ' HA3' ' A' ' 103' ' ' GLY . 18.7 tp -56.12 112.72 1.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -75.12 168.24 20.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.541 HD12 ' HB3' ' A' ' 51' ' ' HIS . 12.9 tp -66.73 -30.66 70.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -80.73 -47.14 14.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -49.02 -47.42 44.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.505 HD23 ' HB2' ' A' ' 51' ' ' HIS . 48.9 tp -62.49 -37.15 84.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.452 ' O ' HD11 ' A' ' 122' ' ' ILE . 27.2 tt0 -53.91 -39.87 66.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.489 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.7 t90 -68.91 -54.03 17.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -38.92 -49.58 1.68 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.8 mt -68.9 -30.76 69.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 120' ' ' GLY . 1.4 t -72.11 -60.55 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -41.96 -25.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 117' ' ' SER . 83.3 t -83.35 -36.39 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 121.94 -2.09 10.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.451 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.551 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -66.04 -37.56 86.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.319 . . . . 0.0 111.103 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.452 HD11 ' O ' ' A' ' 113' ' ' GLU . 35.2 pt -145.61 179.04 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -119.59 100.9 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.0 p -95.71 157.15 16.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.11 -43.35 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.5 mt -39.99 128.72 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -37.32 141.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -112.57 113.39 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -75.08 -58.67 3.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 57.2 p -64.39 -25.16 67.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 75.7 -177.39 49.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 123.77 10.41 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.6 t -75.34 -62.53 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 91.6 p -67.31 117.95 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.828 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.426 -0.269 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 m -111.16 150.15 29.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.383 . . . . 0.0 110.898 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 t -120.38 42.49 2.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.25 -120.44 0.54 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.445 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -130.39 111.53 12.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.355 . . . . 0.0 110.875 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -60.69 135.98 57.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.25 139.41 2.87 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -121.34 -39.88 2.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -105.88 -179.66 4.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.11 39.22 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -174.52 170.86 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.431 HD21 ' HD3' ' A' ' 66' ' ' LYS . 46.6 tp -104.84 123.03 46.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -113.85 -178.61 3.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -132.22 130.23 40.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 20' ' ' TYR . 25.5 pt -120.96 164.02 17.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 m -88.13 178.7 6.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.75 -68.24 1.73 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -46.16 -25.99 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.754 0.312 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -80.7 -35.67 33.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.746 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.2 t80 -38.1 -47.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.517 HG13 ' CB ' ' A' ' 25' ' ' THR . 73.7 t -70.16 -66.55 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -44.7 -21.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.533 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 60.2 mm-40 -99.54 -74.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.523 HG22 HG11 ' A' ' 33' ' ' VAL . 31.1 t -57.85 -55.33 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.517 ' CB ' HG13 ' A' ' 21' ' ' VAL . 33.0 m -62.32 -65.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -83.39 34.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -60.32 174.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.597 ' HB2' HD22 ' A' ' 31' ' ' LEU . 3.8 mm-40 -53.05 -174.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 30' ' ' ASP . 11.9 tttm -73.43 131.65 42.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 29' ' ' LYS . 2.6 p30 35.5 39.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.597 HD22 ' HB2' ' A' ' 28' ' ' GLU . 5.9 tp -93.89 140.41 29.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.575 ' CZ2' ' HG3' ' A' ' 88' ' ' LYS . 81.0 m95 -93.74 119.69 33.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.523 HG11 HG22 ' A' ' 24' ' ' VAL . 61.0 t -119.96 111.62 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.52 HG11 HD22 ' A' ' 116' ' ' LEU . 84.9 t -103.47 105.68 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.746 HD13 ' CD2' ' A' ' 20' ' ' TYR . 12.2 tt -99.61 157.07 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.559 ' CE1' ' HB ' ' A' ' 48' ' ' VAL . 3.7 t-80 -148.01 118.77 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mt -85.19 95.39 9.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.605 ' OH ' HD11 ' A' ' 68' ' ' ILE . 15.4 p90 -83.93 156.67 22.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.552 ' HG3' HD13 ' A' ' 81' ' ' LEU . 5.6 mmm180 -148.52 124.19 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -53.15 -35.1 59.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.2 m -66.13 -31.36 72.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 t -95.4 123.26 57.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.61 0.719 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -45.74 1.49 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.592 ' CG ' HG23 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -47.76 -48.31 30.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 73.9 m -50.05 -54.6 19.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.0 mt -41.13 -49.36 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.6 t -64.06 -40.36 88.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 39.2 t -58.3 -38.17 67.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -69.45 -37.43 77.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -56.3 -42.63 77.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.568 ' HB2' HD23 ' A' ' 112' ' ' LEU . 34.8 m-70 -76.34 -49.99 15.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.603 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.3 mt -42.25 -34.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -67.3 -48.72 66.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.8 t -68.53 -38.79 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.496 HD13 ' CD1' ' A' ' 116' ' ' LEU . 17.0 mt -67.68 -24.44 65.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.76 -47.37 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -74.26 -27.73 60.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -70.73 -47.83 57.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -116.26 86.56 17.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.655 0.741 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -19.12 36.4 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.344 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -68.3 -43.74 77.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.7 m -84.4 128.46 34.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -72.33 141.85 48.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -133.12 119.58 20.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.7 m -139.2 157.27 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.431 ' HD3' HD21 ' A' ' 12' ' ' LEU . 22.3 pttt -135.25 142.01 45.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.78 133.05 28.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.605 HD11 ' OH ' ' A' ' 38' ' ' TYR . 75.0 mt -73.46 142.87 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.693 ' O ' HG12 ' A' ' 69' ' ' VAL . 61.1 t -81.55 45.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.12 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.447 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 5.3 p-10 -84.79 86.83 7.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.6 m 62.14 38.95 13.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.43 -62.11 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.583 HG22 ' H ' ' A' ' 75' ' ' HIS . 8.7 mm -108.74 147.78 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -88.32 -29.09 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.583 ' H ' HG22 ' A' ' 73' ' ' ILE . 6.9 m80 -82.43 38.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.504 ' CD1' ' HB ' ' A' ' 73' ' ' ILE . 9.1 m-85 -130.84 84.08 2.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.436 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 41.6 p-80 -93.9 -54.16 3.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 38.8 t70 -174.25 169.79 3.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 54.34 48.92 19.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.637 ' O ' HG23 ' A' ' 97' ' ' ILE . 3.0 t -134.41 -41.65 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.552 HD13 ' HG3' ' A' ' 39' ' ' ARG . 14.7 mt -83.34 152.44 64.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.562 0.696 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.74 174.03 42.15 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.389 -0.163 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.486 HG21 ' CE2' ' A' ' 85' ' ' PHE . 54.2 m -146.35 130.61 17.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.9 mt -131.23 111.04 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.486 ' CE2' HG21 ' A' ' 83' ' ' THR . 45.4 m-85 -108.17 127.51 53.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 46.0 t -107.01 128.1 62.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.457 ' CZ ' HG12 ' A' ' 92' ' ' ILE . 43.6 m-85 -124.61 134.04 53.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.575 ' HG3' ' CZ2' ' A' ' 32' ' ' TRP . 0.8 OUTLIER -114.99 -58.89 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -124.5 36.36 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 92.71 7.94 62.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -120.71 153.37 37.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.923 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.457 HG12 ' CZ ' ' A' ' 87' ' ' TYR . 72.7 mt -79.86 91.27 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.529 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 36.7 mm-40 -57.14 -38.17 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -168.06 133.97 3.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -116.36 142.99 46.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.45 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 3.9 m-85 -129.56 87.93 2.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 80' ' ' CYS . 5.3 mp -105.16 118.94 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 113.12 128.45 4.88 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.592 HG23 ' CG ' ' A' ' 44' ' ' MET . 65.1 mt -35.55 -50.14 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.768 0.318 . . . . 0.0 111.145 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.4 mt -64.42 -52.0 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 97' ' ' ILE . 29.5 mt-10 -51.96 -36.87 50.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.679 ' O ' HD22 ' A' ' 107' ' ' LEU . 2.0 m -85.67 25.56 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.618 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 98.34 -51.04 1.27 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.535 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.48 ' O ' ' HE2' ' A' ' 44' ' ' MET . . . 126.36 163.72 11.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.822 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -56.12 -22.47 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 111.133 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.822 ' N ' HD12 ' A' ' 105' ' ' ILE . 14.1 p30 -97.78 19.05 14.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.679 HD22 ' O ' ' A' ' 102' ' ' CYS . 60.2 tp -58.18 111.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -77.65 162.75 26.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.498 ' CD1' ' ND1' ' A' ' 51' ' ' HIS . 23.4 tp -58.14 -35.21 71.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -77.86 -50.89 11.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -44.79 -53.97 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.606 HD13 HD21 ' A' ' 107' ' ' LEU . 47.5 tp -57.9 -38.81 76.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.579 ' O ' HD11 ' A' ' 122' ' ' ILE . 3.1 tm-20 -53.53 -36.55 61.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.481 ' O ' ' N ' ' A' ' 117' ' ' SER . 16.6 t90 -73.16 -51.3 18.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.478 ' O ' HG23 ' A' ' 119' ' ' VAL . 15.6 mtpp -39.43 -48.73 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.52 HD22 HG11 ' A' ' 34' ' ' VAL . 16.8 mt -69.63 -30.59 68.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.4 t -71.5 -58.97 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.405 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . 3.2 pt-20 -43.94 -22.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 115' ' ' LYS . 95.9 t -83.88 -38.48 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 124.81 -1.36 8.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.56 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -68.97 -41.45 77.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.738 0.304 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.579 HD11 ' O ' ' A' ' 113' ' ' GLU . 32.2 pt -138.25 -177.2 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -120.66 102.63 8.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.975 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.6 p -86.09 166.11 16.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -89.79 -38.04 14.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 55.4 mt -50.07 112.17 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -42.17 144.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -51.1 120.6 5.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -119.2 41.73 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.7 t -59.35 147.33 36.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -98.36 149.35 19.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.643 2.229 . . . . 0.0 112.335 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 134' ' ' SER . 22.8 t -52.46 104.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 133' ' ' SER . 47.1 p 37.3 46.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -149.69 116.32 5.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -46.11 152.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.87 -175.85 47.03 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -66.99 128.84 37.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.342 . . . . 0.0 110.893 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 p -136.68 111.12 8.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.24 163.4 9.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -112.87 -41.34 3.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -100.36 -178.31 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.39 41.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -173.52 155.8 2.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.2 tp -83.28 117.82 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -103.85 -178.7 3.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -140.6 134.29 30.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.617 HD12 ' HA ' ' A' ' 20' ' ' TYR . 26.4 pt -124.6 175.6 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.0 p -105.15 178.48 4.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.13 -60.01 9.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -56.12 -28.2 56.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -78.48 -35.72 46.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.617 ' HA ' HD12 ' A' ' 15' ' ' ILE . 1.4 t80 -40.49 -45.21 2.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.413 ' C ' ' N ' ' A' ' 23' ' ' GLU . 90.5 t -71.6 -72.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -44.0 -22.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.453 ' O ' ' CA ' ' A' ' 27' ' ' ALA . 5.6 mm-40 -94.9 -73.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.408 HG22 HG11 ' A' ' 33' ' ' VAL . 22.7 t -61.77 -63.02 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.1 m -49.86 -60.1 3.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -87.2 25.51 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.453 ' CA ' ' O ' ' A' ' 23' ' ' GLU . . . -55.27 161.92 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.073 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -48.9 160.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' ASP . 11.9 tppt? -62.44 145.82 53.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' LYS . 3.3 p30 35.38 49.16 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.425 HD23 ' HB1' ' A' ' 27' ' ' ALA . 14.9 tp -113.39 136.27 52.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.558 ' CZ2' ' HE3' ' A' ' 88' ' ' LYS . 95.6 m95 -90.62 103.94 16.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.538 HG22 ' HB3' ' A' ' 63' ' ' LYS . 87.9 t -106.66 106.37 20.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.532 HG11 HD22 ' A' ' 116' ' ' LEU . 59.3 t -102.34 107.49 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.605 HD13 ' CE2' ' A' ' 20' ' ' TYR . 16.1 tt -99.7 165.47 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.412 ' N ' ' CG1' ' A' ' 35' ' ' ILE . 7.1 t-80 -155.6 111.44 3.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 67' ' ' ALA . 8.5 mt -77.33 83.65 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.48 ' OH ' HD11 ' A' ' 68' ' ' ILE . 17.1 p90 -72.41 156.12 39.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -149.49 121.67 8.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 p -53.28 -24.49 11.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -74.28 -32.27 62.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.1 t -87.67 119.79 70.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.646 0.736 . . . . 0.0 111.083 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -26.79 27.05 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.619 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -67.6 -56.82 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' MET . 9.8 p -37.03 -34.51 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.4 mt -47.85 -62.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 44' ' ' MET . 6.0 p -60.01 -33.55 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.525 HG23 ' SD ' ' A' ' 44' ' ' MET . 98.8 t -64.04 -37.77 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -74.12 -39.69 63.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -58.31 -49.68 76.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.516 ' CE1' ' HB2' ' A' ' 109' ' ' LEU . 6.9 m-70 -63.7 -42.59 97.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.58 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 39.8 mt -60.59 -20.64 61.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 t -72.51 -44.58 62.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 p -82.87 -31.26 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.3 mt -69.55 -19.31 63.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.86 -43.68 62.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -79.82 -21.04 44.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 tttp -76.32 -46.33 28.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.425 ' CZ ' HD12 ' A' ' 122' ' ' ILE . 43.6 m-85 -115.56 89.31 22.13 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.681 0.753 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -17.54 37.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -70.62 -40.4 73.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.474 ' HB ' ' CZ ' ' A' ' 64' ' ' PHE . 53.6 m -80.82 126.04 30.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HB3' HG22 ' A' ' 33' ' ' VAL . 24.8 tttt -85.78 102.66 13.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.474 ' CZ ' ' HB ' ' A' ' 62' ' ' THR . 56.6 m-85 -94.0 143.16 26.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.0 m -153.82 137.61 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -111.2 117.57 33.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.525 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -132.97 128.94 37.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.082 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.48 HD11 ' OH ' ' A' ' 38' ' ' TYR . 24.9 mt -74.57 143.32 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 69' ' ' VAL . 11.5 p -76.97 50.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -85.86 112.86 21.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.9 p 54.34 27.93 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.407 ' C ' HG13 ' A' ' 73' ' ' ILE . 3.7 t -91.62 -50.28 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.407 HG13 ' C ' ' A' ' 72' ' ' CYS . 30.6 mt -141.46 133.56 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' HG2' ' N ' ' A' ' 75' ' ' HIS . 22.7 pm0 -91.87 -28.42 17.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.44 ' N ' ' HG2' ' A' ' 74' ' ' GLU . 4.8 m170 -49.44 -34.72 17.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -67.73 127.37 32.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -117.39 -55.72 2.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -173.56 -179.2 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 44.45 45.42 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.4 p -128.03 -36.77 1.94 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.545 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 11.6 mt -82.61 153.07 67.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.8 176.11 34.02 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.379 -0.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.409 ' CG2' ' CZ ' ' A' ' 85' ' ' PHE . 70.8 m -149.33 136.2 19.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.169 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.414 HG23 ' O ' ' A' ' 35' ' ' ILE . 66.6 mt -136.1 135.46 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.409 ' CZ ' ' CG2' ' A' ' 83' ' ' THR . 48.7 m-85 -131.03 132.66 45.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 94' ' ' GLY . 13.2 t -111.92 125.87 69.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -119.21 130.05 55.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.558 ' HE3' ' CZ2' ' A' ' 32' ' ' TRP . 2.8 tppp? -101.35 -58.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -128.9 25.6 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 107.22 14.34 18.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -129.93 155.67 45.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.45 HG21 ' CE ' ' A' ' 95' ' ' LYS . 4.2 mm -76.48 94.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -75.38 -30.22 60.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.546 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -166.85 123.11 1.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.589 ' C ' ' CD1' ' A' ' 96' ' ' PHE . 18.6 ptpt -123.29 161.64 24.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -146.53 112.98 5.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.497 HD11 ' HD3' ' A' ' 95' ' ' LYS . 5.3 mp -119.33 126.25 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.35 139.57 9.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.678 HG22 ' HA2' ' A' ' 104' ' ' GLY . 66.6 mt -50.64 -47.58 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.827 0.346 . . . . 0.0 111.084 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.1 mt -64.15 -48.42 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 97' ' ' ILE . 28.2 mt-10 -56.59 -27.77 58.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 37.8 t -96.57 22.22 8.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.627 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 100.04 -52.15 1.02 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.678 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 122.3 171.86 13.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.748 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.5 pp -60.58 -13.68 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 111.128 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.748 ' N ' HD12 ' A' ' 105' ' ' ILE . 6.0 m120 -102.62 0.65 33.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.649 HD21 ' HB2' ' A' ' 112' ' ' LEU . 12.1 tp -45.67 120.01 2.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -81.72 169.06 17.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 9.4 tp -68.69 -28.73 67.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -84.27 -39.72 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -52.71 -52.69 55.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.649 ' HB2' HD21 ' A' ' 107' ' ' LEU . 47.1 tp -63.63 -38.6 91.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.612 ' O ' HD11 ' A' ' 122' ' ' ILE . 30.8 tt0 -52.61 -23.46 6.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.48 ' O ' ' N ' ' A' ' 117' ' ' SER . 20.4 t90 -83.33 -52.88 6.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -39.86 -50.22 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.532 HD22 HG11 ' A' ' 34' ' ' VAL . 7.9 mt -65.59 -30.72 71.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.5 t -72.55 -57.5 4.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -48.93 -20.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 39.1 t -88.89 -36.38 8.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.537 ' O ' ' CE2' ' A' ' 32' ' ' TRP . . . 124.85 -6.16 8.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.522 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -61.14 -42.34 98.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.612 HD11 ' O ' ' A' ' 113' ' ' GLU . 33.6 pt -141.2 179.45 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -117.15 100.47 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.2 p -110.07 149.58 29.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -53.05 -40.75 64.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.402 ' O ' ' CD1' ' A' ' 114' ' ' TRP . 11.9 mt -63.07 112.18 2.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -113.37 175.42 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -122.56 -46.58 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 130' ' ' SER . 97.3 m-20 -113.93 88.72 2.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 129' ' ' ASN . 28.1 m -34.74 -51.34 0.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 61.74 -158.74 32.25 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 148.82 66.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.8 t -115.32 172.32 7.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 84.4 p -151.23 133.11 15.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.52 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 t -50.02 145.71 5.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.865 0.364 . . . . 0.0 110.848 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.5 m -130.49 151.78 50.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.1 -61.21 0.67 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -120.31 168.32 11.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.907 0.384 . . . . 0.0 110.83 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -160.37 147.14 15.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.36 -165.96 53.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.517 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -118.66 -45.39 2.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -121.25 -69.38 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.35 41.61 25.3 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -175.1 146.34 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.932 0.396 . . . . 0.0 110.835 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.9 tp -80.41 132.26 35.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -125.52 173.61 8.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -127.04 144.55 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 20' ' ' TYR . 18.9 pt -133.46 174.91 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.6 m -109.6 -178.36 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.44 -47.2 86.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -62.37 -29.97 70.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' TYR . 62.5 mt-30 -82.15 -33.99 29.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.504 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 2.5 t80 -37.93 -50.72 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.15 -68.98 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.183 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -45.72 -21.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 74.4 mm-40 -98.52 -75.39 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.412 HG22 HG11 ' A' ' 33' ' ' VAL . 78.6 t -58.98 -59.58 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.7 m -56.39 -65.83 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -82.41 36.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.646 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -65.65 147.93 52.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.558 ' OE1' HD13 ' A' ' 31' ' ' LEU . 47.3 tt0 -34.56 149.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 4.1 tppp? -55.67 137.43 49.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 46.13 47.87 12.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.646 HD23 ' HB1' ' A' ' 27' ' ' ALA . 11.5 tp -114.86 134.93 54.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.554 ' CZ3' ' HG3' ' A' ' 93' ' ' GLU . 86.0 m95 -89.92 105.19 17.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.499 HG21 ' CB ' ' A' ' 27' ' ' ALA . 78.5 t -104.22 128.32 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.165 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.497 HG11 HD22 ' A' ' 116' ' ' LEU . 92.8 t -123.34 104.98 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.418 HD13 ' CD2' ' A' ' 20' ' ' TYR . 6.6 tt -103.9 138.23 29.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -126.63 104.61 8.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.537 HD22 ' HB ' ' A' ' 69' ' ' VAL . 10.5 mt -70.18 97.5 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -91.7 164.18 13.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.611 ' HB3' HG23 ' A' ' 42' ' ' VAL . 7.5 ttt180 -151.47 118.51 5.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.3 t -46.29 -26.91 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -85.03 22.11 1.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.611 HG23 ' HB3' ' A' ' 39' ' ' ARG . 24.9 t -141.4 120.38 8.09 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.644 0.735 . . . . 0.0 111.074 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -49.6 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.659 2.239 . . . . 0.0 112.356 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.482 ' SD ' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -42.68 -44.74 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.8 m -55.9 -43.14 76.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.3 mt -41.77 -58.8 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 44' ' ' MET . 2.7 p -64.31 -41.03 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.482 HG23 ' SD ' ' A' ' 44' ' ' MET . 71.3 t -55.2 -40.16 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.417 ' HA ' HD12 ' A' ' 52' ' ' LEU . 7.2 t-20 -65.85 -45.96 80.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -47.73 -40.14 19.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.466 ' CB ' HD23 ' A' ' 112' ' ' LEU . 7.1 m-70 -72.07 -44.18 63.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.6 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 49' ' ' ASN . 69.1 mt -57.7 -33.52 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 t -59.93 -57.0 14.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.433 ' CG1' HD11 ' A' ' 109' ' ' LEU . 8.6 p -74.0 -27.2 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.1 mt -70.16 -19.37 63.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.428 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -75.54 -44.52 43.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -79.03 -35.27 42.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -62.59 -45.64 91.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.431 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 31.4 m-85 -117.87 90.54 36.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.681 0.753 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -37.37 9.36 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.682 2.255 . . . . 0.0 112.397 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -55.53 -50.65 69.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 32' ' ' TRP . 98.3 m -75.08 125.46 28.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.073 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.7 tttm -71.06 142.78 50.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.428 ' CD2' ' HA ' ' A' ' 56' ' ' ALA . 83.0 m-85 -132.95 117.9 18.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.29 147.33 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.91 142.56 49.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.23 173.15 15.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.095 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.5 mt -106.07 124.63 61.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.669 ' O ' HG13 ' A' ' 69' ' ' VAL . 9.6 p -86.08 47.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -78.81 -45.67 20.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 t -97.36 -42.73 7.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.623 ' HB3' HG23 ' A' ' 69' ' ' VAL . 3.7 t -40.17 -54.17 2.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.9 mt -135.1 146.6 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 75' ' ' HIS . 10.5 pt-20 -91.57 -41.75 10.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.455 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 34.8 m-70 -34.49 -71.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.585 ' CD2' ' HB3' ' A' ' 80' ' ' CYS . 76.9 m-85 -33.78 122.57 0.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.483 ' CD2' ' N ' ' A' ' 77' ' ' HIS . 1.4 p80 -132.76 -71.05 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.456 ' H ' ' CG ' ' A' ' 77' ' ' HIS . 30.7 t0 -135.02 -55.85 0.81 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -81.43 39.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.585 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 86.2 m -134.74 14.25 3.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.553 HD13 HG21 ' A' ' 42' ' ' VAL . 14.6 mt -137.34 152.88 74.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.75 -178.8 17.51 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.387 -0.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.544 HG22 ' CE2' ' A' ' 85' ' ' PHE . 7.6 m -146.45 138.69 25.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 69.9 mt -144.51 143.54 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.544 ' CE2' HG22 ' A' ' 83' ' ' THR . 76.9 m-85 -144.53 133.33 22.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.2 t -109.09 131.91 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 24.1 m-85 -125.76 132.63 52.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -112.67 -59.76 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -125.7 42.28 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.74 24.68 37.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.56 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 12.5 pt20 -130.77 -174.69 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.1 mt -109.57 84.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.554 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 41.4 mm-40 -53.59 -36.74 62.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.74 139.43 5.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 20.6 pttp -129.33 147.45 51.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.313 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.7 OUTLIER -138.54 108.18 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.417 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 4.2 mp -123.21 118.85 55.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 116.76 125.39 3.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.534 HG22 ' HA2' ' A' ' 104' ' ' GLY . 91.4 mt -34.16 -56.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 111.11 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.2 mt -58.78 -54.76 29.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.417 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 10.9 mt-10 -46.58 -33.97 4.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.427 ' HB3' ' HE3' ' A' ' 44' ' ' MET . 7.4 m -92.21 28.18 1.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.63 -37.38 3.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.534 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 109.48 171.56 20.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.501 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.9 pp -58.34 -15.75 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 111.112 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.501 ' N ' HD12 ' A' ' 105' ' ' ILE . 85.3 m-20 -90.03 -13.51 35.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 112' ' ' LEU . 6.9 tp -38.04 136.99 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.53 161.96 14.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.433 HD11 ' CG1' ' A' ' 54' ' ' VAL . 24.0 tp -53.88 -40.04 66.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.81 -46.67 62.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -48.06 -58.86 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.6 ' HB2' HD21 ' A' ' 107' ' ' LEU . 52.9 tp -56.02 -43.14 77.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.577 ' O ' HD11 ' A' ' 122' ' ' ILE . 10.2 tt0 -48.34 -35.96 13.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.7 t90 -70.86 -55.98 7.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.659 ' O ' HG23 ' A' ' 119' ' ' VAL . 32.4 mttp -39.47 -47.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.497 HD22 HG11 ' A' ' 34' ' ' VAL . 13.8 mt -69.46 -31.17 69.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 114' ' ' TRP . 4.2 t -73.91 -60.61 2.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -42.78 -34.45 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 115' ' ' LYS . 99.0 t -72.79 -35.13 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 32' ' ' TRP . . . 118.24 3.08 15.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.512 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -71.12 -51.3 25.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 111.059 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.577 HD11 ' O ' ' A' ' 113' ' ' GLU . 20.7 pt -128.12 -175.77 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -122.44 95.97 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.5 t -95.97 150.55 20.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -54.53 -46.91 73.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 127' ' ' GLU . 22.1 mt -50.31 109.37 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 126' ' ' LEU . 12.2 mt-10 -34.82 135.36 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -87.33 150.38 23.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 36.5 m120 59.88 42.73 15.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.6 t -86.55 -56.36 3.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -60.07 133.35 50.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -6.25 18.14 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.363 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.0 p -91.89 118.76 31.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 31.2 t -53.96 106.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -132.63 144.73 50.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 m -123.47 174.56 7.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.75 145.12 16.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 p -97.32 110.48 23.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -100.66 143.05 31.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.6 162.58 43.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -119.08 -37.91 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -103.49 -176.27 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.36 36.95 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.467 ' CG ' ' CZ ' ' A' ' 13' ' ' ARG . 7.2 pt-20 -168.58 162.06 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.8 tp -87.45 125.21 34.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.467 ' CZ ' ' CG ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -107.59 176.43 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -130.59 138.81 50.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' ' 20' ' ' TYR . 46.0 pt -135.68 169.3 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.0 m -106.12 178.33 4.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.96 -48.67 84.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -62.39 -30.12 70.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' TYR . 56.5 mt-30 -80.83 -36.13 31.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.649 ' HA ' HD12 ' A' ' 15' ' ' ILE . 2.4 t80 -35.92 -49.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.595 HG13 ' CB ' ' A' ' 25' ' ' THR . 98.7 t -69.19 -71.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -41.97 -23.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.715 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 7.0 mm-40 -96.2 -75.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.457 HG12 ' CG ' ' A' ' 87' ' ' TYR . 45.2 t -61.88 -52.83 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.595 ' CB ' HG13 ' A' ' 21' ' ' VAL . 87.6 m -63.89 -70.39 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -82.49 36.43 0.48 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -61.18 176.19 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -57.37 169.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 30' ' ' ASP . 44.1 tttm -65.29 135.22 55.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' LYS . 5.1 p-10 36.39 47.59 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 tp -112.35 135.83 52.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.575 ' CZ2' ' HG3' ' A' ' 88' ' ' LYS . 68.7 m95 -87.02 128.27 35.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.451 HG11 HG22 ' A' ' 24' ' ' VAL . 98.6 t -128.95 106.09 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.522 HG11 HD22 ' A' ' 116' ' ' LEU . 95.7 t -98.3 104.41 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.167 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.549 HD13 ' CD2' ' A' ' 20' ' ' TYR . 14.2 tt -99.95 153.73 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.577 ' CE1' HG11 ' A' ' 48' ' ' VAL . 30.6 t60 -138.05 116.81 12.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.818 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.3 mt -80.35 86.7 5.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -82.03 160.03 23.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.624 ' HB3' HG23 ' A' ' 42' ' ' VAL . 17.8 ttt180 -147.31 121.28 9.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.5 p -51.08 -25.87 5.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 m -87.59 20.41 2.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.82 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.624 HG23 ' HB3' ' A' ' 39' ' ' ARG . 45.2 t -136.81 122.38 13.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.742 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -42.88 2.99 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.49 ' SD ' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -54.86 -45.51 74.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 84.3 m -51.47 -36.65 45.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.8 mt -51.95 -66.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 44' ' ' MET . 2.1 p -52.7 -39.64 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.577 HG11 ' CE1' ' A' ' 36' ' ' HIS . 58.8 t -55.69 -46.67 79.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.99 -42.89 95.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -52.0 -44.2 64.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -68.93 -42.46 76.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.634 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.07 -27.35 65.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.8 t -65.8 -52.49 50.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.5 p -76.26 -32.21 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.1 mt -66.55 -17.81 65.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.484 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . . . -80.71 -38.34 29.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.38 -17.45 28.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -81.31 -39.51 25.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -120.61 89.48 44.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.728 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -20.1 35.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -68.93 -37.45 78.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 87.9 m -90.61 137.41 32.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.164 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HB3' HG22 ' A' ' 33' ' ' VAL . 26.5 tttm -93.61 114.1 26.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 65.6 m-85 -100.56 135.5 41.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.77 137.0 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -112.02 127.88 56.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.41 129.54 16.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.6 mt -67.01 146.49 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 69' ' ' VAL . 13.2 p -83.73 44.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.149 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -88.05 124.61 33.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.4 t 50.36 40.96 23.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.2 t -105.5 -55.3 2.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 21.3 mm -126.87 144.01 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -88.67 -43.17 11.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -46.44 -50.82 16.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -42.02 113.88 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.454 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 13.1 p80 -114.27 -50.94 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 13.5 t70 -173.89 175.23 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 45.37 48.49 10.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 34.3 m -122.31 -41.92 2.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.547 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 6.7 mt -81.26 151.01 68.95 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.641 0.734 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.0 Cg_endo -69.7 169.83 61.2 Favored 'Cis proline' 0 C--O 1.231 0.175 0 C-N-CA 122.734 -1.778 . . . . 0.0 112.363 -0.153 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.44 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 87.6 m -148.02 140.28 24.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 35' ' ' ILE . 73.7 mt -137.63 148.61 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.44 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 65.5 m-85 -145.15 123.52 12.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.0 t -101.01 135.44 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.457 ' CG ' HG12 ' A' ' 24' ' ' VAL . 22.9 m-85 -125.82 136.21 52.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.575 ' HG3' ' CZ2' ' A' ' 32' ' ' TRP . 1.3 tmtt? -121.66 -62.23 1.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.21 41.7 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.55 18.48 68.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -127.8 -175.05 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.4 mt -105.22 94.65 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.481 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 44.7 mm-40 -61.54 -39.13 89.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.1 142.56 7.82 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.434 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -128.3 146.06 50.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 3.4 m-85 -133.81 103.19 5.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.8 mp -114.78 123.18 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.29 135.96 6.91 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.758 HG22 ' HA2' ' A' ' 104' ' ' GLY . 89.6 mt -48.18 -41.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 111.149 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.6 mt -69.94 -46.91 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.82 -32.74 70.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 10.9 m -82.67 -7.74 59.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.68 -37.0 2.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.508 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.758 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 115.21 163.67 14.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.661 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -59.35 -16.19 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.334 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.661 ' N ' HD12 ' A' ' 105' ' ' ILE . 7.8 p30 -102.5 10.62 38.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.635 HD12 ' HB2' ' A' ' 111' ' ' GLU . 6.3 tp -51.43 134.8 28.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.12 141.32 34.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.6 tp -40.58 -33.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -70.97 -47.41 59.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.635 ' HB2' HD12 ' A' ' 107' ' ' LEU . 20.8 mm-40 -49.62 -55.45 13.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.494 ' HB2' HD21 ' A' ' 107' ' ' LEU . 28.4 tp -59.82 -44.38 94.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.442 ' O ' HD11 ' A' ' 122' ' ' ILE . 32.1 tt0 -47.3 -30.5 3.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.473 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.0 t90 -81.04 -52.79 7.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.518 ' O ' HG23 ' A' ' 119' ' ' VAL . 23.0 mttm -40.06 -49.92 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.522 HD22 HG11 ' A' ' 34' ' ' VAL . 14.5 mt -67.16 -30.11 70.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.4 t -74.08 -62.89 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -40.71 -25.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 115' ' ' LYS . 79.8 t -80.12 -39.76 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 125.92 0.37 7.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.546 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -70.59 -39.58 73.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.31 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.442 HD11 ' O ' ' A' ' 113' ' ' GLU . 36.9 pt -140.81 -175.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.46 ' O ' ' CD ' ' A' ' 123' ' ' GLN . 2.4 pp0? -129.04 88.64 2.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.5 p -72.27 -176.2 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -118.66 -23.59 7.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.3 mp -38.46 145.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.498 ' O ' ' C ' ' A' ' 128' ' ' GLU . 13.7 pt-20 -42.01 164.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 127' ' ' GLU . 35.8 mt-10 30.5 53.55 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -70.51 -53.52 15.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 92.0 p -148.42 -176.03 5.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -81.09 174.71 54.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.523 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -23.54 30.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.363 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.6 m -52.21 172.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 33.0 t -161.23 137.44 8.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.523 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.9 m -63.52 164.33 9.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.3 p -127.34 94.3 3.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.26 92.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 m -137.46 109.09 7.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.884 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.2 p -56.72 -64.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.84 138.28 7.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -117.71 -42.2 2.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -102.62 -175.34 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.27 39.85 0.13 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -174.82 173.5 2.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.4 tp -99.41 127.43 45.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -118.57 169.12 10.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -121.02 150.24 41.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 16.2 pt -137.48 172.13 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -100.19 179.01 4.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -60.27 -74.82 0.32 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.54 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -39.16 -34.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.309 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 20' ' ' TYR . 28.4 mm100 -72.95 -40.26 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.572 ' CE2' HD13 ' A' ' 35' ' ' ILE . 2.2 t80 -34.15 -50.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.454 HG13 ' CB ' ' A' ' 25' ' ' THR . 88.8 t -68.97 -67.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -43.86 -22.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.613 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 9.5 mm-40 -101.81 -74.63 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.551 HG12 ' CG ' ' A' ' 87' ' ' TYR . 22.9 t -56.1 -54.07 31.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.454 ' CB ' HG13 ' A' ' 21' ' ' VAL . 51.0 m -65.15 -67.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -82.3 35.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -62.8 161.61 12.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.072 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.641 ' HB3' HD22 ' A' ' 31' ' ' LEU . 4.1 tp10 -50.53 157.31 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 14.4 ttmm -61.15 149.76 36.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER 36.74 44.83 0.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.641 HD22 ' HB3' ' A' ' 28' ' ' GLU . 6.3 tp -123.14 131.99 53.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.518 ' CD2' ' HA ' ' A' ' 121' ' ' ALA . 79.3 m95 -91.93 128.26 37.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.7 t -119.74 94.86 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.9 t -85.96 102.27 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.594 ' O ' HG23 ' A' ' 84' ' ' ILE . 14.8 tt -99.84 147.35 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.135 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -126.77 118.94 25.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.775 HD23 ' O ' ' A' ' 67' ' ' ALA . 8.3 mt -96.78 119.06 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -117.35 145.93 43.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' SER . 28.0 ttt180 -110.17 23.79 13.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t 39.62 25.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 39' ' ' ARG . 4.0 m -127.49 -23.09 3.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.522 HG21 ' HB2' ' A' ' 81' ' ' LEU . 62.2 t -103.09 133.35 20.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.635 0.731 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.451 ' HD2' HG13 ' A' ' 42' ' ' VAL . 54.0 Cg_endo -69.78 -41.34 4.33 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.598 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -48.12 -47.65 34.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 84.2 m -55.53 -50.86 68.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.9 mt -44.34 -52.4 7.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 82.2 t -61.47 -44.25 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 44' ' ' MET . 87.5 t -50.34 -42.91 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.664 ' HA ' HD12 ' A' ' 52' ' ' LEU . 28.2 t-20 -64.92 -39.88 94.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -50.09 -51.62 41.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' LEU . 14.2 m-70 -65.46 -50.55 64.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.622 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 49' ' ' ASN . 18.8 mt -36.91 -36.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.954 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -66.23 -51.57 56.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.73 -36.4 77.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 116' ' ' LEU . 14.8 mt -74.96 -27.81 60.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.563 ' HA ' ' CE1' ' A' ' 64' ' ' PHE . . . -64.38 -44.18 92.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 ptm85 -77.31 -37.64 52.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -64.53 -48.17 76.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.463 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 54.4 m-85 -108.9 93.96 13.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.673 0.749 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.77 -33.82 15.78 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.268 . . . . 0.0 112.355 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -55.87 -51.09 68.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 98.6 m -68.53 132.12 46.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -98.07 99.13 10.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.563 ' CE1' ' HA ' ' A' ' 56' ' ' ALA . 22.0 m-85 -87.66 130.96 34.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.4 m -140.19 142.16 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -104.68 139.05 40.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.775 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -164.53 133.64 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.2 mt -78.38 147.33 7.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.76 ' HB ' HD22 ' A' ' 37' ' ' LEU . 12.0 p -105.85 43.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -86.33 -45.88 10.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 72' ' ' CYS . 23.3 t -93.54 -44.42 8.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 71' ' ' SER . 5.4 t -34.65 -44.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.423 HG22 ' CG2' ' A' ' 69' ' ' VAL . 14.6 tt -147.81 141.49 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -111.81 43.17 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -114.53 -44.64 3.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.498 ' OH ' HG21 ' A' ' 83' ' ' THR . 7.7 m-85 -38.57 107.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.499 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 14.8 p80 -98.83 -53.9 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.499 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 24.6 t0 -173.17 175.58 3.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 53.84 43.37 31.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.48 ' O ' HG23 ' A' ' 97' ' ' ILE . 87.1 m -128.17 -62.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.555 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 3.2 mt -60.52 142.64 90.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.727 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.75 165.42 76.64 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.684 -1.799 . . . . 0.0 112.356 -0.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.498 HG21 ' OH ' ' A' ' 76' ' ' TYR . 32.7 m -140.11 125.97 19.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 35' ' ' ILE . 35.5 mt -138.19 139.5 41.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -134.06 129.38 35.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.9 t -100.29 120.95 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CE1' ' CD1' ' A' ' 92' ' ' ILE . 10.3 m-85 -108.97 127.72 54.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.515 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 37.6 tptt -112.23 -54.81 2.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -129.2 42.14 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.71 26.45 50.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -142.25 173.67 11.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.769 0.318 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.582 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 45.5 mm -90.76 99.27 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 77.6 mm-40 -78.15 -34.12 49.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.11 126.69 1.71 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -115.54 140.5 49.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -130.89 86.99 2.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.48 HG23 ' O ' ' A' ' 80' ' ' CYS . 4.9 mp -106.23 117.19 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.14 129.79 5.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.556 HG22 ' HA2' ' A' ' 104' ' ' GLY . 82.4 mt -37.56 -48.98 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 0.0 111.12 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.0 mt -59.6 -55.63 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -49.48 -36.97 24.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.418 ' C ' ' HE3' ' A' ' 115' ' ' LYS . 1.8 m -74.76 -22.36 58.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.53 -35.32 2.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.526 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.556 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 115.81 151.97 9.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.533 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.695 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.3 pp -42.34 -27.76 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.351 . . . . 0.0 111.121 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.695 ' N ' HD12 ' A' ' 105' ' ' ILE . 20.5 m120 -85.33 22.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 104' ' ' GLY . 42.2 tp -55.79 108.44 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -82.06 144.9 30.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.1 tp -41.58 -39.0 1.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -80.93 -43.08 20.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -43.79 -54.35 5.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.414 ' HB2' HD21 ' A' ' 107' ' ' LEU . 47.8 tp -63.42 -42.77 98.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.55 ' O ' HD11 ' A' ' 122' ' ' ILE . 36.8 tt0 -45.84 -41.55 11.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.49 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.9 t90 -65.48 -55.91 15.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.418 ' HE3' ' C ' ' A' ' 102' ' ' CYS . 14.3 mttm -38.46 -52.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.402 ' CD1' HD13 ' A' ' 55' ' ' LEU . 10.9 mt -64.11 -31.89 73.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 114' ' ' TRP . 7.4 t -71.62 -61.27 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -41.36 -32.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.5 t -74.4 -39.17 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 123.85 3.08 8.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.518 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -71.52 -45.51 62.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.55 HD11 ' O ' ' A' ' 113' ' ' GLU . 26.9 pt -135.54 -179.95 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -125.49 97.96 5.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.0 p -97.96 157.11 16.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -57.7 -43.95 85.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 127' ' ' GLU . 14.3 mt -51.45 126.98 18.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 126' ' ' LEU . 15.9 pt-20 -34.47 128.36 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -116.67 164.84 14.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -73.83 -59.81 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 19.7 m -161.39 170.66 19.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -137.24 153.66 22.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 128.25 15.81 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.394 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 58.3 m -47.39 110.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 22.6 m -81.23 173.87 12.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -161.47 174.81 12.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -144.81 176.61 9.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.78 138.15 8.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -103.92 85.39 2.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.901 0.381 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 t -174.54 125.56 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.483 ' CA ' ' HB2' ' A' ' 60' ' ' PRO . . . -142.53 159.47 27.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.573 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 7.6 ptpp? -119.06 -40.72 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.573 ' CD1' ' HG3' ' A' ' 8' ' ' LYS . 4.4 m-85 -107.26 -71.38 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.12 51.23 24.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -175.12 131.73 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.412 HD21 ' HD3' ' A' ' 66' ' ' LYS . 55.4 tp -68.52 117.35 10.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -109.87 168.79 9.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -125.13 129.59 50.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 20' ' ' TYR . 22.5 pt -116.65 170.23 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 t -107.65 177.06 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -52.35 -77.11 0.15 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -39.13 -35.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 20' ' ' TYR . 40.8 mt-30 -73.33 -39.16 65.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.614 ' HA ' HD12 ' A' ' 15' ' ' ILE . 1.7 t80 -34.2 -51.36 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.545 HG13 ' CB ' ' A' ' 25' ' ' THR . 94.0 t -70.39 -67.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -43.7 -22.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 5.8 mm-40 -99.99 -75.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.6 t -57.79 -57.51 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.545 ' CB ' HG13 ' A' ' 21' ' ' VAL . 37.8 m -59.94 -67.32 0.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -81.13 37.6 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.507 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -66.34 156.78 33.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.603 ' HB3' HD22 ' A' ' 31' ' ' LEU . 35.2 tp10 -46.15 157.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 18.2 tptp -59.7 138.06 57.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 44.04 38.84 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 28' ' ' GLU . 9.5 tp -110.12 115.85 30.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.611 ' HZ3' HG12 ' A' ' 119' ' ' VAL . 61.9 m95 -73.0 125.31 27.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.408 HG22 ' HB3' ' A' ' 63' ' ' LYS . 98.9 t -123.81 107.52 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.449 HG22 HG22 ' A' ' 86' ' ' VAL . 92.4 t -98.68 105.07 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.429 HD13 ' CD2' ' A' ' 20' ' ' TYR . 6.4 tt -101.21 144.41 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -130.7 94.37 3.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.406 HD12 ' CG2' ' A' ' 83' ' ' THR . 10.1 mt -60.66 103.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -99.63 129.21 45.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -99.32 15.16 27.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m 39.97 25.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 39' ' ' ARG . 38.3 m -132.3 -29.26 1.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.4 ' CG1' ' HD2' ' A' ' 43' ' ' PRO . 2.1 t -79.34 134.22 59.03 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.649 0.737 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.509 ' HA ' HD12 ' A' ' 46' ' ' LEU . 53.1 Cg_endo -69.81 -19.99 35.18 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.25 . . . . 0.0 112.303 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -57.21 3.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.9 p -44.34 -40.53 5.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 43' ' ' PRO . 65.9 mt -51.67 -46.22 63.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.966 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.5 t -69.16 -41.48 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.119 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 45.2 t -56.45 -45.61 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -56.88 -44.7 82.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -48.8 -46.05 41.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.487 ' O ' HG12 ' A' ' 54' ' ' VAL . 12.3 m-70 -70.29 -48.99 54.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.644 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.5 mt -45.05 -37.81 4.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.1 t -54.12 -57.18 12.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.889 HG11 HD11 ' A' ' 109' ' ' LEU . 10.5 p -71.24 -34.54 54.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.572 HD13 ' CD1' ' A' ' 116' ' ' LEU . 37.5 mt -62.58 -18.99 63.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.48 -43.56 31.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -80.05 -39.16 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -62.11 -48.83 78.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.515 ' CD1' ' HB ' ' A' ' 122' ' ' ILE . 55.9 m-85 -117.76 88.78 31.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.659 0.742 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.483 ' HB2' ' CA ' ' A' ' 7' ' ' GLY . 53.3 Cg_endo -69.81 -32.78 17.69 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -52.38 -41.48 63.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.4 m -81.21 126.03 31.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.408 ' HB3' HG22 ' A' ' 33' ' ' VAL . 35.2 tttm -86.52 107.35 18.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -95.95 139.97 31.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.3 m -151.34 128.29 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.412 ' HD3' HD21 ' A' ' 12' ' ' LEU . 43.5 pttt -105.58 120.2 41.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.86 165.94 21.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.6 mt -105.31 146.2 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.643 ' O ' HG12 ' A' ' 69' ' ' VAL . 53.2 t -76.82 50.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -85.24 116.44 23.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.2 t 40.83 40.26 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.5 t -96.95 -45.8 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.4 mt -137.3 113.48 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.48 42.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -131.37 -45.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -48.77 130.87 18.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.422 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 9.0 p80 -125.02 -56.32 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.422 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 13.3 t70 -162.72 -179.29 6.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 42.59 43.65 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.478 ' O ' HG23 ' A' ' 97' ' ' ILE . 8.8 p -121.72 -38.82 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.552 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 3.9 mt -85.7 148.72 49.52 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.59 0.709 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.76 164.97 77.86 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.36 -0.086 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.572 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 41.5 m -135.6 129.34 32.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.4 mt -140.56 132.39 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.572 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 73.3 m-85 -134.5 127.51 31.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.449 HG22 HG22 ' A' ' 34' ' ' VAL . 16.2 t -99.6 122.78 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 37.6 m-85 -120.65 130.08 53.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.537 ' HE2' ' CE2' ' A' ' 32' ' ' TRP . 15.2 ttmt -107.5 -64.07 1.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -123.69 39.59 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.52 21.64 33.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.602 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 13.0 pt20 -126.59 -178.54 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.922 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 75.3 mt -107.8 86.14 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -58.36 -34.49 70.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -171.95 134.03 2.9 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -119.03 146.62 44.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 4.1 m-85 -134.89 101.16 4.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.478 HG23 ' O ' ' A' ' 80' ' ' CYS . 5.3 mp -120.38 115.65 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 117.42 128.2 4.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.517 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.641 HG22 ' HA2' ' A' ' 104' ' ' GLY . 91.3 mt -37.34 -58.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 111.098 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.684 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.4 mp -58.63 -51.76 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 9.6 mt-10 -46.71 -36.41 7.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.506 ' O ' HD22 ' A' ' 107' ' ' LEU . 10.4 t -94.21 30.01 2.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.479 ' N ' ' HE3' ' A' ' 115' ' ' LYS . . . 90.68 -44.3 2.89 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.641 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 112.23 175.85 19.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.607 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -59.65 -13.07 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 111.154 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.607 ' N ' HD12 ' A' ' 105' ' ' ILE . 72.2 m-20 -92.49 -11.84 33.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.576 HD21 HD13 ' A' ' 112' ' ' LEU . 61.2 tp -35.31 109.27 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -80.31 160.68 25.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.889 HD11 HG11 ' A' ' 54' ' ' VAL . 44.8 tp -54.28 -40.57 67.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -79.75 -39.47 30.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -48.95 -56.49 8.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.576 HD13 HD21 ' A' ' 107' ' ' LEU . 70.2 tp -58.24 -44.15 88.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.657 ' O ' HD11 ' A' ' 122' ' ' ILE . 12.7 tt0 -42.44 -38.87 2.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.49 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.6 t90 -70.08 -54.22 14.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.529 ' O ' HG23 ' A' ' 119' ' ' VAL . 16.9 mttm -40.35 -45.14 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.572 ' CD1' HD13 ' A' ' 55' ' ' LEU . 12.8 mt -72.75 -29.43 63.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 114' ' ' TRP . 8.6 t -74.57 -60.32 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -40.94 -29.94 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.611 HG12 ' HZ3' ' A' ' 32' ' ' TRP . 92.7 t -76.4 -40.39 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 123.81 6.15 7.28 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.522 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -76.77 -48.49 18.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.657 HD11 ' O ' ' A' ' 113' ' ' GLU . 10.4 pt -131.32 -177.84 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.161 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.52 ' CD ' ' N ' ' A' ' 123' ' ' GLN . 13.6 mp0 -119.38 97.68 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.3 p -82.38 142.16 32.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -58.1 -45.57 87.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 127' ' ' GLU . 51.4 mt -45.51 109.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 126' ' ' LEU . 1.1 pm0 -34.53 129.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -72.43 156.36 39.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -120.27 -50.66 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.3 t -135.73 143.96 45.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 147.97 129.55 1.89 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 90.14 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 86.8 p -81.43 42.86 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.4 m -75.69 -47.74 24.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 m -126.82 118.53 24.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 0.0 110.893 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -50.03 158.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.71 -50.78 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -108.57 144.46 36.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.843 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -71.95 163.65 27.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.28 146.15 2.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -82.84 -44.74 15.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.808 0.337 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -107.45 -176.4 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.47 43.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -174.39 176.69 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.516 HD21 ' HD2' ' A' ' 66' ' ' LYS . 29.3 tp -110.99 118.09 35.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -109.36 173.55 6.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -126.23 143.55 51.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' A' ' 20' ' ' TYR . 41.0 pt -135.27 171.98 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -104.99 167.39 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -48.27 -60.15 5.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.52 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -50.61 -35.45 30.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -75.92 -33.74 59.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.899 ' CE2' HD13 ' A' ' 35' ' ' ILE . 15.9 t80 -38.5 -51.58 1.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.576 HG13 ' CB ' ' A' ' 25' ' ' THR . 66.0 t -69.63 -71.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -41.63 -23.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' VAL . 17.9 mm-40 -94.65 -73.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 19.9 t -66.65 -71.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.576 ' CB ' HG13 ' A' ' 21' ' ' VAL . 31.9 m -41.13 -64.56 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -81.67 35.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 24' ' ' VAL . . . -74.86 174.7 8.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.473 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -53.27 176.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.486 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 22.5 ttpt -84.84 -69.63 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -85.96 43.49 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 6.1 tp -121.9 149.92 42.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.551 ' CZ2' ' HG3' ' A' ' 88' ' ' LYS . 73.4 m95 -113.07 107.33 15.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.9 t -102.44 115.75 44.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.642 HG22 HG22 ' A' ' 86' ' ' VAL . 65.7 t -111.24 109.57 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.899 HD13 ' CE2' ' A' ' 20' ' ' TYR . 12.4 tt -100.5 152.64 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -141.38 108.87 5.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.873 HD22 ' CG2' ' A' ' 69' ' ' VAL . 8.1 mt -71.78 91.36 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.407 ' CE1' ' HG3' ' A' ' 66' ' ' LYS . 4.0 p90 -95.22 151.66 19.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 9.6 mtp-105 -148.82 128.12 12.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.2 t -49.33 -24.98 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 t -70.4 -34.28 72.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 44' ' ' MET . 10.9 t -90.75 116.25 65.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 111.158 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -18.62 36.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.55 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -72.23 -49.76 32.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.2 p -48.94 -29.43 4.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.0 mt -53.66 -63.55 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 44' ' ' MET . 7.2 p -59.05 -33.83 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.458 HG23 ' SD ' ' A' ' 44' ' ' MET . 59.1 t -67.58 -37.25 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -69.46 -36.3 76.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -59.18 -40.35 85.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.539 ' CB ' HD12 ' A' ' 109' ' ' LEU . 5.1 m-70 -69.17 -49.48 56.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.579 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.8 mt -51.81 -32.65 32.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.5 t -60.24 -53.96 51.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.621 ' CG1' HD11 ' A' ' 109' ' ' LEU . 11.9 p -75.28 -27.94 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.76 -19.35 65.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.4 -42.76 64.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.093 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 7.8 ptm180 -78.55 -36.04 45.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 31.1 tttp -63.77 -47.94 78.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -118.28 87.17 29.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 -28.76 24.48 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.691 2.261 . . . . 0.0 112.301 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -61.2 -48.41 81.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 32' ' ' TRP . 82.4 m -78.15 126.54 30.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -74.06 140.37 45.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -130.4 118.23 20.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.6 m -144.54 163.28 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.516 ' HD2' HD21 ' A' ' 12' ' ' LEU . 1.1 pmtp? -145.1 155.1 43.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.04 132.27 16.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.054 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.2 mt -74.53 123.76 30.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.873 ' CG2' HD22 ' A' ' 37' ' ' LEU . 92.9 t -75.65 55.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -84.0 -41.92 16.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.7 m -104.83 -40.06 6.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.428 ' C ' HG13 ' A' ' 73' ' ' ILE . 26.1 m -38.33 -58.67 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.465 HD12 ' CE1' ' A' ' 76' ' ' TYR . 40.3 mt -153.97 139.63 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -80.1 -36.29 35.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -75.92 47.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.465 ' CE1' HD12 ' A' ' 73' ' ' ILE . 4.7 m-85 -134.98 95.36 3.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -132.79 -66.47 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -132.9 -42.02 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -37.79 -48.74 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 10.5 p -102.41 -50.21 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.543 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 79.0 mt -67.67 148.7 98.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.623 0.725 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.7 143.33 73.45 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 -1.784 . . . . 0.0 112.364 -0.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.659 ' HB ' HD12 ' A' ' 37' ' ' LEU . 86.2 m -120.9 144.99 48.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 87.6 mt -146.09 134.64 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 95' ' ' LYS . 40.3 m-85 -136.45 141.0 43.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.642 HG22 HG22 ' A' ' 34' ' ' VAL . 61.4 t -115.09 132.43 64.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -125.1 130.79 52.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.551 ' HG3' ' CZ2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -111.58 -61.87 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 29' ' ' LYS . 17.6 m120 -119.82 38.58 3.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.76 2.56 75.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 92' ' ' ILE . 1.5 tp-100 -118.6 152.21 36.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.746 0.308 . . . . 0.0 110.928 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.507 ' N ' ' OE1' ' A' ' 91' ' ' GLN . 93.7 mt -75.01 106.74 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.52 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 36.6 mm-40 -78.33 -34.65 48.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.21 133.47 2.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 85' ' ' PHE . 45.4 pttt -122.65 152.26 40.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.358 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.408 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 11.4 m-85 -138.52 111.37 7.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 97' ' ' ILE . 5.1 mp -123.09 128.87 75.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.09 149.82 19.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.2 mm -52.54 -66.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 103' ' ' GLY . 22.6 mt -49.93 -55.72 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -46.85 -32.11 3.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.401 ' O ' ' HE3' ' A' ' 44' ' ' MET . 32.6 t -94.61 29.22 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.577 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 88.57 -41.98 3.06 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.24 166.34 21.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.556 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.697 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -55.16 -18.62 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.794 0.33 . . . . 0.0 111.115 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.697 ' N ' HD12 ' A' ' 105' ' ' ILE . 23.1 m-20 -101.14 24.1 9.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.615 HD21 ' HB2' ' A' ' 112' ' ' LEU . 3.7 tp -72.28 121.86 20.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -83.75 171.18 13.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.621 HD11 ' CG1' ' A' ' 54' ' ' VAL . 11.6 tp -65.0 -34.98 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.26 -45.27 20.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -44.99 -53.23 7.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.615 ' HB2' HD21 ' A' ' 107' ' ' LEU . 55.6 tp -63.16 -44.2 96.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -44.17 -42.53 6.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.429 ' O ' ' N ' ' A' ' 117' ' ' SER . 20.0 t90 -61.19 -54.41 44.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.55 ' O ' HG23 ' A' ' 119' ' ' VAL . 14.8 mttm -40.31 -51.04 2.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.18 -33.29 75.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 120' ' ' GLY . 10.7 t -72.77 -63.17 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -39.89 -32.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 115' ' ' LYS . 89.2 t -74.43 -39.33 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 121.83 6.7 8.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.532 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -75.34 -42.72 53.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 111.119 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 32.9 pt -136.52 -179.55 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.51 104.21 11.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.1 p -106.99 156.28 18.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -77.63 -43.99 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 55.6 mt -39.19 140.36 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -82.29 170.67 15.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? -103.05 132.2 49.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -82.43 -61.38 1.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.3 p 49.38 41.89 21.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 71.05 145.36 0.34 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -17.57 37.57 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.73 2.287 . . . . 0.0 112.34 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 68.6 m 44.78 41.33 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.0 t -89.45 108.22 19.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -128.7 -54.12 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 t -52.53 -49.88 63.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.11 -176.69 23.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.6 m -93.44 135.65 34.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.359 . . . . 0.0 110.854 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -118.22 131.18 56.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.477 ' CA ' ' HB2' ' A' ' 60' ' ' PRO . . . -51.28 174.23 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -116.72 -56.17 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -112.16 -70.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.85 43.43 7.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -174.99 143.81 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.2 tp -80.0 121.71 25.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 mtt-85 -110.56 -176.56 3.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -142.4 115.8 9.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 20' ' ' TYR . 30.0 pt -109.02 166.62 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.407 ' H ' ' CG ' ' A' ' 19' ' ' GLN . 3.4 m -97.74 164.59 12.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.69 -30.79 66.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -66.2 -40.7 90.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.407 ' CG ' ' H ' ' A' ' 16' ' ' SER . 1.8 pt20 -89.89 -1.64 58.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.788 ' CE2' HD13 ' A' ' 35' ' ' ILE . 4.9 t80 -55.39 -54.54 42.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.715 HG13 ' CB ' ' A' ' 25' ' ' THR . 99.6 t -65.72 -59.72 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.183 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -47.19 -22.05 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -100.9 -75.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.694 HG22 HG11 ' A' ' 33' ' ' VAL . 76.4 t -60.17 -72.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.715 ' CB ' HG13 ' A' ' 21' ' ' VAL . 87.0 m -39.47 -67.78 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -83.44 33.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -65.12 151.15 46.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.109 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 9.3 tp10 -41.86 159.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 44.4 tttt -63.47 -75.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.63 48.87 0.97 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.455 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 6.6 tp -130.15 136.92 49.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.573 ' CZ2' ' HE3' ' A' ' 88' ' ' LYS . 84.8 m95 -103.58 107.94 19.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.694 HG11 HG22 ' A' ' 24' ' ' VAL . 62.0 t -102.57 104.66 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 86' ' ' VAL . 96.9 t -103.84 102.04 13.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.788 HD13 ' CE2' ' A' ' 20' ' ' TYR . 15.4 tt -94.0 152.71 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -140.11 112.25 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 67' ' ' ALA . 8.8 mt -79.64 86.38 5.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -79.55 150.51 31.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.965 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -146.08 121.29 10.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.8 p -49.53 -21.42 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 t -78.67 9.92 3.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.534 HG21 ' HB2' ' A' ' 81' ' ' LEU . 15.0 t -133.07 121.59 16.88 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.566 0.698 . . . . 0.0 111.084 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -30.49 22.28 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.579 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -64.67 -51.16 63.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 96.8 m -42.58 -35.92 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.5 mt -49.61 -64.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 44' ' ' MET . 6.8 p -59.21 -36.26 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 44' ' ' MET . 46.5 t -57.55 -46.61 86.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.458 ' HA ' HD12 ' A' ' 52' ' ' LEU . 31.0 t-20 -62.77 -43.83 97.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -53.56 -52.04 60.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' A' ' 109' ' ' LEU . 22.7 m-70 -61.41 -45.31 94.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.623 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 49' ' ' ASN . 19.5 mt -47.75 -41.16 22.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.6 t -54.68 -57.65 10.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.3 t -61.68 -42.55 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.682 HD13 ' CD1' ' A' ' 116' ' ' LEU . 63.6 mt -64.73 -18.41 65.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.43 -34.23 41.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 1.8 ptm85 -91.64 -17.16 25.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -82.93 -45.96 13.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -117.91 88.4 30.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.715 0.769 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.477 ' HB2' ' CA ' ' A' ' 7' ' ' GLY . 53.9 Cg_endo -69.75 -24.7 29.41 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -60.5 -28.55 68.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.403 ' HB ' ' CZ ' ' A' ' 64' ' ' PHE . 98.9 m -92.72 130.51 38.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -90.55 101.31 14.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.403 ' CZ ' ' HB ' ' A' ' 62' ' ' THR . 55.0 m-85 -93.45 134.28 35.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.9 m -146.73 129.89 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -98.83 128.84 45.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.433 ' HB3' HD11 ' A' ' 35' ' ' ILE . . . -141.69 122.2 14.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 34.0 mt -55.36 148.43 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.745 HG23 HG23 ' A' ' 73' ' ' ILE . 7.3 p -80.01 44.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -100.09 117.98 35.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.0 m 59.3 31.02 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.8 t -114.25 -54.78 2.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.745 HG23 HG23 ' A' ' 69' ' ' VAL . 2.5 pp -73.7 169.59 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -87.31 -48.87 7.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.464 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 6.1 p-80 -159.45 106.16 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.591 ' CE2' HG21 ' A' ' 73' ' ' ILE . 3.1 m-30 -115.32 139.65 49.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.546 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 21.2 p-80 -134.67 -49.7 0.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.546 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 6.6 t70 -170.47 174.03 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 50.62 42.12 26.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.56 ' O ' HG23 ' A' ' 97' ' ' ILE . 40.5 m -122.77 -57.3 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.547 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 4.9 mt -80.55 148.77 66.83 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.597 0.713 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.75 159.9 88.88 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.364 -0.111 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 54.5 m -136.39 118.5 15.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.0 mt -124.52 136.08 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -129.75 135.24 48.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 34' ' ' VAL . 26.4 t -111.25 118.25 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -114.2 126.15 54.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.573 ' HE3' ' CZ2' ' A' ' 32' ' ' TRP . 0.8 OUTLIER -102.01 -67.61 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.935 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.416 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 10.1 m-80 -119.31 30.71 6.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 99.92 16.93 26.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -130.14 151.86 50.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.622 HG21 ' HE2' ' A' ' 95' ' ' LYS . 50.1 mt -75.65 88.63 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.61 -32.99 74.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -163.99 138.06 5.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.622 ' HE2' HG21 ' A' ' 92' ' ' ILE . 17.1 ptpt -132.18 145.05 51.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.531 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 54.1 m-85 -134.46 103.0 5.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 80' ' ' CYS . 4.8 mp -118.61 117.53 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 120.5 143.44 6.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.548 HG22 ' HA2' ' A' ' 104' ' ' GLY . 42.7 mm -49.6 -51.96 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.784 0.326 . . . . 0.0 111.126 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.3 mt -69.33 -40.79 80.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 14.5 mt-10 -58.43 -31.43 67.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.812 ' O ' HD22 ' A' ' 107' ' ' LEU . 2.5 t -90.0 1.62 56.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.87 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 116.32 -35.09 4.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.548 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 108.08 155.89 18.68 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.978 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.5 pp -49.25 -23.95 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.882 0.373 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.978 ' N ' HD12 ' A' ' 105' ' ' ILE . 3.7 p30 -97.11 25.41 5.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.87 HD13 ' HA3' ' A' ' 103' ' ' GLY . 57.5 tp -70.82 123.05 21.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -81.18 176.55 9.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.524 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 5.5 tp -76.6 -28.2 56.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -81.97 -49.58 10.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -49.52 -52.62 28.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.656 ' HB2' HD21 ' A' ' 107' ' ' LEU . 41.2 tp -58.07 -40.12 80.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.411 ' O ' HD11 ' A' ' 122' ' ' ILE . 38.0 tt0 -51.15 -39.87 57.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.3 t90 -60.12 -56.41 21.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.625 ' O ' HG23 ' A' ' 119' ' ' VAL . 29.9 mttp -39.73 -47.85 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.682 ' CD1' HD13 ' A' ' 55' ' ' LEU . 14.9 mt -67.5 -31.19 71.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 114' ' ' TRP . 5.4 t -76.16 -62.28 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -40.79 -30.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 115' ' ' LYS . 95.6 t -80.36 -36.91 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.175 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 124.26 -4.89 8.87 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.501 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.456 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -61.5 -35.62 78.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 111.111 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.411 HD11 ' O ' ' A' ' 113' ' ' GLU . 38.3 pt -146.42 176.64 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.26 91.5 3.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.8 p -96.22 175.01 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -114.8 30.05 7.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 20.5 mt -106.09 113.6 27.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -155.73 151.9 27.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -111.57 97.84 7.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -75.66 75.12 2.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.2 t -172.81 128.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 76.12 -176.33 51.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 124.42 11.07 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.328 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.2 t -94.93 97.91 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 54.5 p -89.42 112.87 24.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 p -52.88 172.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 0.0 110.903 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -130.23 -60.69 1.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.22 96.57 1.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 m -157.14 142.04 16.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.884 0.373 . . . . 0.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 m -82.51 42.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.04 137.17 0.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -79.04 -57.36 3.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.949 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -95.96 -175.22 3.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.15 32.23 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -171.09 149.29 2.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.1 tp -74.76 124.81 27.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.96 -176.72 3.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -144.42 135.05 24.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 20' ' ' TYR . 39.8 pt -134.74 168.69 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 m -103.21 -175.63 2.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.33 -67.9 1.91 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -47.12 -27.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -81.88 -37.84 26.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.637 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.5 t80 -38.63 -48.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.566 HG13 ' CB ' ' A' ' 25' ' ' THR . 83.6 t -68.56 -71.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -39.31 -25.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 8.5 mm-40 -99.22 -75.03 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.51 ' HA ' HG11 ' A' ' 33' ' ' VAL . 32.0 t -55.95 -50.44 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.566 ' CB ' HG13 ' A' ' 21' ' ' VAL . 85.2 m -68.55 -62.61 1.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -84.25 29.5 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -57.51 172.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.471 ' HB3' HD22 ' A' ' 31' ' ' LEU . 9.0 tm-20 -62.63 162.37 10.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 30' ' ' ASP . 22.9 ttpt -63.9 144.39 57.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.429 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 0.9 OUTLIER 37.67 42.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 28' ' ' GLU . 9.3 tp -113.08 127.13 56.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.571 ' CZ2' ' HE2' ' A' ' 88' ' ' LYS . 88.7 m95 -80.08 120.36 24.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.51 HG11 ' HA ' ' A' ' 24' ' ' VAL . 41.6 t -119.56 107.69 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.481 HG11 HD22 ' A' ' 116' ' ' LEU . 99.4 t -107.4 105.78 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.637 HD13 ' CD2' ' A' ' 20' ' ' TYR . 13.9 tt -98.62 149.29 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.504 ' CE1' ' HB3' ' A' ' 38' ' ' TYR . 5.1 t-80 -133.79 116.62 15.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.824 HD12 ' HB ' ' A' ' 83' ' ' THR . 10.4 mt -80.52 91.26 5.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.504 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 5.9 p90 -90.48 147.1 23.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.465 ' HG3' ' CD1' ' A' ' 81' ' ' LEU . 5.6 mmt85 -138.38 129.18 26.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 t -58.55 -15.82 12.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.0 t -84.81 -27.41 26.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 44' ' ' MET . 10.1 t -91.71 119.72 68.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -19.92 35.55 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.748 2.299 . . . . 0.0 112.298 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.505 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -71.84 -53.78 12.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 9.1 p -44.55 -26.12 0.33 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.4 mt -58.79 -62.42 1.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 44' ' ' MET . 4.4 p -59.69 -28.75 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.0 t -69.79 -37.61 73.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -67.6 -34.49 77.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -60.2 -50.28 74.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -68.58 -50.99 47.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.614 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.0 mt -43.95 -39.81 4.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -61.51 -44.37 97.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 81.7 t -72.33 -38.43 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.433 HD13 ' CD1' ' A' ' 116' ' ' LEU . 20.9 mt -64.11 -25.0 67.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.69 -46.5 65.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -77.17 -24.11 51.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -76.72 -46.7 24.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.574 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 65.0 m-85 -114.47 86.63 12.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.678 0.751 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -19.88 35.84 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -67.64 -35.86 79.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 90.9 m -89.73 131.91 35.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.09 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -90.61 107.92 19.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -94.32 136.65 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.8 m -144.54 140.68 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -117.87 121.55 41.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.83 132.88 35.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 69' ' ' VAL . 3.5 mp -71.37 152.34 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.656 ' O ' HG12 ' A' ' 69' ' ' VAL . 38.5 t -81.75 41.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -62.84 75.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 69' ' ' VAL . 10.3 t 66.56 52.76 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.7 t -92.63 -53.37 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.856 HG22 ' H ' ' A' ' 75' ' ' HIS . 67.8 mt -118.87 140.75 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -73.0 -24.27 60.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.856 ' H ' HG22 ' A' ' 73' ' ' ILE . 17.2 m170 -89.34 38.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.422 ' CE1' HD12 ' A' ' 73' ' ' ILE . 5.2 m-85 -131.51 114.24 14.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.532 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 12.8 p-80 -130.67 -47.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.532 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 6.1 t70 -173.54 167.84 4.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 53.69 36.77 24.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.68 -22.74 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.548 HD22 ' O ' ' A' ' 37' ' ' LEU . 58.8 mt -98.29 154.54 37.59 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.591 0.71 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.75 172.37 49.27 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.625 -1.823 . . . . 0.0 112.374 -0.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.824 ' HB ' HD12 ' A' ' 37' ' ' LEU . 52.8 m -148.41 125.76 11.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.6 mt -124.68 141.47 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.657 ' CZ ' ' CG2' ' A' ' 83' ' ' THR . 26.9 m-85 -139.58 127.17 21.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.425 HG22 HG22 ' A' ' 34' ' ' VAL . 33.4 t -105.75 129.9 58.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -120.82 130.71 54.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.571 ' HE2' ' CZ2' ' A' ' 32' ' ' TRP . 7.8 tppt? -100.42 -64.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -128.44 27.81 5.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 110.89 14.48 12.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -132.25 149.45 52.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 110.957 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 69.4 mt -75.58 91.83 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -64.78 -32.11 73.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.64 138.76 5.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.537 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.464 ' C ' ' CD1' ' A' ' 96' ' ' PHE . 43.3 pttt -129.76 155.76 45.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.8 m-85 -143.78 108.69 4.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.433 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 5.4 mp -120.7 124.83 73.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.2 145.66 9.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.574 HG22 ' HA2' ' A' ' 104' ' ' GLY . 8.8 mm -51.09 -57.15 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.317 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.6 mt -61.27 -50.23 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 11.6 mt-10 -50.77 -31.4 16.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.573 ' O ' HD22 ' A' ' 107' ' ' LEU . 10.5 m -97.19 28.67 3.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.625 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 93.7 -44.87 2.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.574 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 104.92 162.52 23.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.483 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.867 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -51.19 -23.41 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.809 0.338 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.867 ' N ' HD12 ' A' ' 105' ' ' ILE . 6.7 p30 -100.1 25.14 7.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.747 HD21 ' HB2' ' A' ' 112' ' ' LEU . 37.9 tp -68.88 128.34 36.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -82.29 178.03 8.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.5 tp -83.41 -29.33 28.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -84.32 -35.09 23.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -57.97 -59.64 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.747 ' HB2' HD21 ' A' ' 107' ' ' LEU . 61.2 tp -55.96 -34.95 66.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.852 ' O ' HD11 ' A' ' 122' ' ' ILE . 34.2 tt0 -56.34 -25.64 49.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.489 ' O ' ' N ' ' A' ' 117' ' ' SER . 17.1 t90 -82.05 -50.57 8.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -39.53 -50.19 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.481 HD22 HG11 ' A' ' 34' ' ' VAL . 15.3 mt -66.93 -29.87 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 114' ' ' TRP . 2.0 t -72.92 -58.77 3.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -43.54 -28.56 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.7 t -83.44 -33.34 9.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.464 ' O ' ' CZ2' ' A' ' 32' ' ' TRP . . . 118.39 1.67 15.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.558 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -69.39 -33.08 72.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.714 0.293 . . . . 0.0 111.043 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.852 HD11 ' O ' ' A' ' 113' ' ' GLU . 43.4 pt -146.19 -177.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -127.1 96.8 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.4 t -90.47 171.12 9.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -79.25 -34.59 42.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 127' ' ' GLU . 39.9 mt -60.59 112.09 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 126' ' ' LEU . 50.6 mm-40 -35.7 131.54 0.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -104.16 169.4 8.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -94.08 -49.77 5.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 12.0 p -40.56 -51.74 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 108.98 -126.17 8.03 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.73 46.0 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.252 . . . . 0.0 112.362 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.5 t -109.94 -53.37 2.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.7 t -108.22 136.16 48.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -69.31 130.52 42.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -115.17 136.18 53.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.36 175.38 31.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -150.26 124.75 9.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -154.7 157.82 38.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.11 175.25 29.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -105.66 8.48 33.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -129.25 -178.99 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.24 42.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -174.19 133.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.2 tp -68.49 115.0 7.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -107.92 176.35 5.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -132.45 128.79 38.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.7 pt -117.02 169.01 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.2 t -97.25 178.87 5.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -62.68 -72.04 0.72 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.432 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -42.27 -30.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' TYR . 79.6 mm-40 -74.51 -38.37 62.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.968 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.672 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.6 t80 -37.44 -46.34 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.41 ' C ' ' N ' ' A' ' 23' ' ' GLU . 94.7 t -68.68 -72.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -45.99 -20.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 21' ' ' VAL . 51.3 mm-40 -96.45 -75.16 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.2 t -59.89 -60.45 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.157 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.7 m -53.71 -59.22 4.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -83.13 31.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.46 ' CB ' HG21 ' A' ' 33' ' ' VAL . . . -73.76 161.01 30.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.456 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 4.7 tp10 -54.2 154.27 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -64.9 -66.11 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -82.82 48.72 1.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 4.7 tp -132.17 140.62 48.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.548 ' CE2' ' O ' ' A' ' 120' ' ' GLY . 96.2 m95 -103.03 100.98 10.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.46 HG21 ' CB ' ' A' ' 27' ' ' ALA . 67.8 t -96.09 105.19 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.43 HG11 HD22 ' A' ' 116' ' ' LEU . 53.5 t -104.04 108.49 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.672 HD13 ' CD2' ' A' ' 20' ' ' TYR . 8.5 tt -102.65 143.76 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.818 ' CE1' HG11 ' A' ' 48' ' ' VAL . 12.2 t-80 -131.96 104.31 6.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.596 HD22 ' HB ' ' A' ' 69' ' ' VAL . 28.2 mt -63.7 99.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.636 ' OH ' HD11 ' A' ' 68' ' ' ILE . 24.9 p90 -87.91 154.39 20.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.469 ' HD2' ' CD1' ' A' ' 81' ' ' LEU . 16.9 ttt85 -150.31 109.7 3.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.847 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.7 p -40.89 -27.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -87.81 30.78 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' ARG . 34.8 t -136.93 114.11 9.96 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.661 0.743 . . . . 0.0 111.096 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.504 ' HA ' ' CD1' ' A' ' 46' ' ' LEU . 54.6 Cg_endo -69.74 -27.01 27.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 0.0 112.396 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.567 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -65.47 -70.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 44' ' ' MET . 40.4 t -32.22 -38.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.504 ' CD1' ' HA ' ' A' ' 43' ' ' PRO . 95.2 mt -40.56 -59.32 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 44' ' ' MET . 2.9 p -67.23 -30.97 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.818 HG11 ' CE1' ' A' ' 36' ' ' HIS . 77.1 t -61.6 -45.27 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.427 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 4.3 t-20 -61.39 -36.9 81.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -55.15 -39.64 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.44 ' CG ' ' HA ' ' A' ' 109' ' ' LEU . 9.5 m-70 -79.93 -50.74 10.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.597 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.496 HD12 HG12 ' A' ' 48' ' ' VAL . 31.4 mt -47.82 -30.69 4.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.4 t -61.19 -58.03 10.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.1 p -73.07 -26.87 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.46 HD21 ' HG3' ' A' ' 113' ' ' GLU . 15.5 mt -68.26 -19.4 64.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.52 -40.49 35.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -83.17 -32.14 26.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.3 tttt -67.57 -47.32 70.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -118.6 90.67 40.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.597 0.713 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.85 29.23 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -56.24 -41.56 75.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.1 m -84.19 132.64 34.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.4 tttt -95.07 89.28 5.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -76.42 133.44 39.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.3 m -145.4 134.07 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.6 pttt -107.7 123.9 49.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.471 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -138.31 134.88 34.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.076 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.636 HD11 ' OH ' ' A' ' 38' ' ' TYR . 16.7 mt -78.86 138.72 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 69' ' ' VAL . 8.4 p -83.06 47.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -79.18 98.08 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.4 m 61.13 39.83 15.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.06 -47.23 8.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.9 tt -131.34 -1.9 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 42.14 41.63 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.0 -34.87 2.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -69.85 106.87 3.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.53 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 10.5 p-80 -101.37 -47.17 4.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.53 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 20.7 t70 -174.84 174.09 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 54.1 t30 47.94 50.0 16.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.2 m -132.71 -61.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.547 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 5.6 mt -59.98 150.91 67.59 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.573 0.701 . . . . 0.0 110.937 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.82 170.91 56.42 Favored 'Cis proline' 0 C--O 1.231 0.175 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.365 -0.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.523 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 52.0 m -146.04 125.82 13.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.9 mt -126.0 144.48 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 41.3 m-85 -142.16 128.85 20.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.3 t -106.07 128.3 60.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 21.0 m-85 -122.8 132.95 54.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -130.67 -38.58 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -132.44 44.79 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 73.2 16.95 78.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.519 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.434 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 20.9 mm-40 -129.68 -174.6 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.918 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.9 mt -105.68 86.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.23 -34.62 61.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.71 129.97 2.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.453 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.6 pttt -120.38 145.14 47.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.6 m-85 -135.17 108.23 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 5.0 mp -122.11 128.63 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.72 137.23 8.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.76 HG22 ' HA2' ' A' ' 104' ' ' GLY . 76.3 mt -46.38 -52.3 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 0.0 111.1 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.5 mt -59.13 -53.09 52.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 97' ' ' ILE . 16.4 mt-10 -50.13 -35.88 27.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.1 m -90.97 27.38 1.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.21 -49.57 2.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.76 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 117.55 171.6 15.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.646 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -57.9 -15.76 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.646 ' N ' HD12 ' A' ' 105' ' ' ILE . 6.6 p-10 -105.43 16.94 24.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.663 HD11 ' HB2' ' A' ' 112' ' ' LEU . 6.4 tp -57.66 130.25 45.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 163.14 13.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.44 ' HA ' ' CG ' ' A' ' 51' ' ' HIS . 26.0 tp -60.26 -38.96 85.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -74.22 -47.45 35.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -45.0 -55.88 5.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.663 ' HB2' HD11 ' A' ' 107' ' ' LEU . 50.0 tp -61.02 -40.5 93.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.704 ' O ' HD11 ' A' ' 122' ' ' ILE . 14.2 tt0 -49.58 -40.79 39.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.625 ' HB2' HD23 ' A' ' 126' ' ' LEU . 22.5 t90 -69.12 -53.05 22.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -38.67 -50.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.43 HD22 HG11 ' A' ' 34' ' ' VAL . 5.4 mt -68.09 -30.33 69.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 114' ' ' TRP . 9.6 t -72.03 -61.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -39.9 -34.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 69.1 t -75.15 -38.58 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.548 ' O ' ' CE2' ' A' ' 32' ' ' TRP . . . 121.28 4.85 9.82 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.476 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.504 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -70.72 -47.5 59.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.734 0.302 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.704 HD11 ' O ' ' A' ' 113' ' ' GLU . 9.2 pt -130.14 -175.09 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -120.25 94.01 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.404 ' HB2' ' CB ' ' A' ' 117' ' ' SER . 1.8 m -79.62 174.97 11.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -110.91 -35.18 6.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.739 ' H ' HD22 ' A' ' 126' ' ' LEU . 0.2 OUTLIER -40.56 110.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -48.21 132.85 15.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.455 ' OE1' ' CZ2' ' A' ' 114' ' ' TRP . 13.5 tp10 -134.22 77.68 1.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 39.38 42.5 0.84 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 19.3 t -130.56 150.73 51.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -98.91 -179.02 31.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 129.84 18.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 80.8 p -161.06 143.43 12.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 50.9 m -72.53 110.18 6.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.547 -179.925 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.1 p -149.78 159.13 44.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 110.862 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -116.62 151.91 35.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.806 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.21 70.63 0.89 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.471 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -66.01 175.3 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.871 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 t -63.14 138.56 58.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.66 -154.05 0.18 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -108.52 -44.79 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -120.6 -174.82 2.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.66 44.26 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -174.51 141.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.449 HD22 ' HB3' ' A' ' 52' ' ' LEU . 23.2 tp -75.76 108.06 8.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -96.32 173.84 7.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -130.16 121.21 25.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 20' ' ' TYR . 46.0 pt -110.9 168.36 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.1 m -100.07 174.11 6.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.08 -70.83 0.82 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.444 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -45.49 -27.19 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -80.57 -35.74 33.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.582 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.4 t80 -41.9 -48.88 4.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.52 HG13 ' CB ' ' A' ' 25' ' ' THR . 86.9 t -68.04 -70.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -41.22 -24.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.549 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 6.2 mm-40 -97.83 -75.13 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.505 HG22 HG11 ' A' ' 33' ' ' VAL . 77.8 t -57.46 -53.46 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.52 ' CB ' HG13 ' A' ' 21' ' ' VAL . 57.4 m -64.43 -63.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -84.57 30.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -58.21 171.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.164 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.44 ' HB3' HD22 ' A' ' 31' ' ' LEU . 15.5 tp10 -59.33 153.29 19.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 21.0 tptm -60.92 130.67 47.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 55.63 41.9 30.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 28' ' ' GLU . 10.7 tp -112.08 140.24 46.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.449 ' CE2' ' O ' ' A' ' 120' ' ' GLY . 92.5 m95 -95.3 106.24 18.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.505 HG11 HG22 ' A' ' 24' ' ' VAL . 58.8 t -107.84 115.04 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 86' ' ' VAL . 93.4 t -111.49 112.54 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.582 HD13 ' CD2' ' A' ' 20' ' ' TYR . 7.4 tt -107.18 142.79 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 38' ' ' TYR . 2.6 t-160 -123.56 92.23 3.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.62 74.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.586 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 20.1 p90 -72.41 166.2 23.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' A' ' 42' ' ' VAL . 13.4 tpp180 -144.73 106.87 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' ARG . 16.5 m -36.38 -32.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' ARG . 6.1 m -84.04 31.76 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' ARG . 98.3 t -134.82 127.56 18.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.656 0.741 . . . . 0.0 111.104 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -44.83 1.84 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.636 2.224 . . . . 0.0 112.355 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.564 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -61.92 -60.29 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.477 ' H ' HG12 ' A' ' 42' ' ' VAL . 1.4 p -33.46 -37.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' MET . 89.7 mt -48.99 -62.99 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.564 HG12 ' O ' ' A' ' 44' ' ' MET . 2.6 p -60.25 -30.96 47.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.5 ' CG2' ' SD ' ' A' ' 44' ' ' MET . 58.2 t -63.6 -35.25 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -75.33 -37.42 60.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -55.43 -49.66 71.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.507 ' HB3' HD12 ' A' ' 109' ' ' LEU . 5.8 m-70 -64.32 -51.84 61.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.591 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.449 ' HB3' HD22 ' A' ' 12' ' ' LEU . 18.6 mt -40.41 -40.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.5 t -56.31 -46.66 79.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.8 t -75.65 -40.71 40.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.611 HD21 ' HG2' ' A' ' 113' ' ' GLU . 22.4 mt -64.29 -25.49 68.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.52 -39.79 85.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -84.63 -36.47 21.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -62.59 -45.92 90.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.426 ' CZ ' HD12 ' A' ' 122' ' ' ILE . 55.1 m-85 -114.57 87.75 14.81 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.65 0.738 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -28.41 25.51 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.729 2.286 . . . . 0.0 112.363 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -61.49 -58.67 7.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.7 m -65.99 122.79 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -79.61 118.51 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -109.16 128.98 55.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.3 m -140.29 139.88 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -116.49 127.79 54.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.85 129.68 24.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 69' ' ' VAL . 66.2 mt -70.26 155.29 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.458 ' N ' HG22 ' A' ' 68' ' ' ILE . 2.9 t -77.59 47.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -96.4 111.74 23.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t 65.56 36.36 6.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 4.3 t -112.48 -67.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 74' ' ' GLU . 7.9 mt -132.17 155.27 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.406 ' N ' HG22 ' A' ' 73' ' ' ILE . 45.3 mt-10 -92.12 160.6 15.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.9 m170 62.69 35.56 14.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 80' ' ' CYS . 5.9 m-85 -134.82 46.1 2.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.421 ' CD2' ' H ' ' A' ' 77' ' ' HIS . 6.9 p80 -73.47 -52.92 11.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -133.13 -32.68 1.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -75.85 166.29 23.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 76' ' ' TYR . 2.9 m 62.72 46.37 5.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.547 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 18.8 mt -152.82 151.23 26.15 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.566 0.698 . . . . 0.0 110.954 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.73 169.0 65.35 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.358 -0.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.5 ' CG2' ' CZ ' ' A' ' 85' ' ' PHE . 55.3 m -133.22 131.14 39.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.469 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 2.3 mm -126.02 147.24 30.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.5 ' CZ ' ' CG2' ' A' ' 83' ' ' THR . 32.3 m-85 -146.67 119.4 8.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 34' ' ' VAL . 60.5 t -103.87 135.13 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -125.33 134.17 52.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . 22.4 tptp -117.73 -50.87 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -130.3 44.68 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.16 28.75 55.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -141.2 -175.38 4.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.764 0.316 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 88.1 mt -103.16 91.83 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.432 ' HG3' ' CB ' ' A' ' 88' ' ' LYS . 20.5 mm-40 -69.01 -29.02 67.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -173.02 139.6 5.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -133.89 149.81 51.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 115' ' ' LYS . 58.1 m-85 -134.18 90.33 2.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.0 mp -100.36 108.67 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 111.6 134.95 6.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.543 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.838 HG22 ' HA2' ' A' ' 104' ' ' GLY . 4.4 mp -35.27 -58.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.326 . . . . 0.0 111.114 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.2 mt -45.48 -52.79 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -58.28 -37.29 74.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.435 ' C ' ' HE3' ' A' ' 115' ' ' LYS . 1.8 m -74.97 -16.13 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 128.69 -34.36 2.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.838 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 128.2 144.91 5.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.929 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.4 pp -40.65 -33.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 111.157 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.929 ' N ' HD12 ' A' ' 105' ' ' ILE . 25.3 m120 -92.62 31.83 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 104' ' ' GLY . 5.4 tp -67.27 130.21 42.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -92.32 179.99 5.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.507 HD12 ' HB3' ' A' ' 51' ' ' HIS . 6.5 tp -73.8 -29.77 62.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -81.34 -46.04 15.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -50.88 -42.39 59.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.513 ' HB2' HD21 ' A' ' 107' ' ' LEU . 65.0 tp -71.23 -38.1 71.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.611 ' HG2' HD21 ' A' ' 55' ' ' LEU . 23.2 mt-10 -52.07 -28.64 18.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.493 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.8 t90 -74.86 -58.59 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 15.3 mttm -40.25 -44.73 1.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.54 ' CD1' HD13 ' A' ' 55' ' ' LEU . 15.6 mt -70.21 -31.71 69.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 120' ' ' GLY . 3.7 t -76.74 -61.96 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -39.84 -33.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 115' ' ' LYS . 73.3 t -75.03 -37.75 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 124.06 -0.59 9.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -67.48 -46.46 72.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 111.077 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.497 HD11 ' O ' ' A' ' 113' ' ' GLU . 25.4 pt -135.81 -175.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -127.59 92.14 3.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.6 p -93.76 158.63 15.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -67.99 -43.13 79.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 49.8 mt -48.54 123.8 7.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -103.33 169.28 8.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -112.05 134.82 53.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -80.55 -61.15 2.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.4 t -155.2 156.13 35.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 159.79 126.84 0.87 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -9.7 26.77 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 35.9 t -57.65 -48.74 78.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.5 p -70.7 -3.2 17.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.478 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -149.38 120.1 7.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.844 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -166.84 178.41 5.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.27 166.91 27.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 m -154.55 178.5 10.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.911 0.386 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 t -60.06 -62.9 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.59 147.45 5.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -116.05 -41.51 3.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.552 ' CE2' ' HD2' ' A' ' 63' ' ' LYS . 4.0 m-85 -107.26 -175.93 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -176.02 37.78 0.1 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -175.0 154.08 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.5 tp -74.08 129.74 38.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -119.83 163.8 16.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -124.31 128.96 49.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 8.0 pt -114.49 173.78 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -98.43 178.89 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -62.59 -74.18 0.44 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -39.91 -35.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.802 0.334 . . . . 0.0 110.907 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 20' ' ' TYR . 21.7 mm100 -69.12 -38.97 79.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.592 ' CE2' HD13 ' A' ' 35' ' ' ILE . 6.7 t80 -34.0 -52.55 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.43 HG13 ' CB ' ' A' ' 25' ' ' THR . 98.4 t -67.27 -70.06 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -43.65 -21.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.59 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 5.3 mm-40 -100.14 -76.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 20' ' ' TYR . 98.6 t -57.4 -55.37 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.43 ' CB ' HG13 ' A' ' 21' ' ' VAL . 61.5 m -62.16 -67.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -80.62 37.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -69.9 168.29 15.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.053 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -51.78 -174.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.27 -62.27 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -91.08 41.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 32' ' ' TRP . 14.6 tp -125.83 155.08 41.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.539 ' CE2' ' O ' ' A' ' 120' ' ' GLY . 92.2 m95 -121.8 106.16 11.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.436 ' CG1' HG22 ' A' ' 24' ' ' VAL . 67.3 t -98.35 98.83 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.196 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.549 HG22 HG22 ' A' ' 86' ' ' VAL . 74.8 t -97.39 98.7 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.592 HD13 ' CE2' ' A' ' 20' ' ' TYR . 18.7 tt -88.44 156.89 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -137.87 124.65 21.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.533 HD12 ' HB ' ' A' ' 83' ' ' THR . 36.7 mt -94.34 130.48 40.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -135.46 139.52 44.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.774 ' HG2' HG23 ' A' ' 42' ' ' VAL . 3.3 ptp180 -106.94 20.46 19.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 m 44.32 24.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.464 ' HB3' ' CD ' ' A' ' 39' ' ' ARG . 4.0 t -131.17 -32.29 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.774 HG23 ' HG2' ' A' ' 39' ' ' ARG . 9.6 t -86.06 135.28 37.47 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.716 . . . . 0.0 111.149 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 53.7 Cg_endo -69.81 -43.78 2.42 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.254 . . . . 0.0 112.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.88 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -49.96 -49.47 50.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 46' ' ' LEU . 2.3 p -60.93 -43.77 98.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.467 ' N ' ' SG ' ' A' ' 45' ' ' CYS . 36.1 mt -50.68 -55.45 16.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 44' ' ' MET . 3.3 p -61.92 -39.24 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 44' ' ' MET . 89.5 t -52.1 -44.58 40.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.647 ' HA ' HD12 ' A' ' 52' ' ' LEU . 29.4 t-20 -65.36 -40.77 94.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -46.77 -45.26 19.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.747 ' HB3' HD12 ' A' ' 109' ' ' LEU . 11.6 m-70 -73.94 -48.34 31.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 49' ' ' ASN . 40.3 mt -41.86 -34.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.6 t -58.25 -58.36 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 51' ' ' HIS . 13.2 p -70.92 -28.79 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.3 mt -72.38 -15.29 61.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.64 -43.92 21.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -77.87 -35.64 50.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -66.65 -44.29 82.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.427 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 29.8 m-85 -115.47 93.42 36.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.1 Cg_endo -69.83 -35.51 12.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.312 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -54.9 -53.97 48.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.5 m -69.5 126.11 28.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.552 ' HD2' ' CE2' ' A' ' 9' ' ' PHE . 22.1 tttp -92.67 101.84 14.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -89.16 124.16 34.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.7 m -137.74 139.84 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.46 140.92 44.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.99 140.36 19.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.3 mt -76.18 122.3 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.484 HG23 HD12 ' A' ' 73' ' ' ILE . 9.6 p -73.24 -31.09 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.122 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -41.18 -39.56 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 t -101.17 -47.74 4.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 9.8 t -44.58 -50.46 9.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.623 HG22 ' H ' ' A' ' 75' ' ' HIS . 22.9 mt -124.63 137.47 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -109.91 39.23 2.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.623 ' H ' HG22 ' A' ' 73' ' ' ILE . 4.7 m-70 -123.66 -33.92 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -54.19 120.39 6.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.467 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 25.4 p80 -105.5 -53.47 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.467 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 14.0 t0 -170.11 176.78 4.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 45.1 43.46 7.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.814 ' O ' HG23 ' A' ' 97' ' ' ILE . 4.3 m -124.25 -41.43 2.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.575 HD12 ' NE ' ' A' ' 39' ' ' ARG . 76.6 mt -84.56 148.4 51.93 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.603 0.716 . . . . 0.0 110.921 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.77 165.32 76.98 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.637 -1.818 . . . . 0.0 112.364 -0.143 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.533 ' HB ' HD12 ' A' ' 37' ' ' LEU . 86.8 m -138.78 118.33 12.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.455 HD11 HG11 ' A' ' 48' ' ' VAL . 60.6 mt -129.66 118.0 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -115.3 136.51 53.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.549 HG22 HG22 ' A' ' 34' ' ' VAL . 48.8 t -112.92 128.96 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -120.09 136.19 54.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.507 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 21.5 tptp -114.2 -62.98 1.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.437 ' CG ' ' HG3' ' A' ' 88' ' ' LYS . 0.5 OUTLIER -119.84 43.66 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.2 -0.24 87.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 92' ' ' ILE . 2.2 tt0 -120.98 153.91 36.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.32 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.471 ' N ' ' HG3' ' A' ' 91' ' ' GLN . 92.1 mt -73.68 113.33 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -89.28 -33.84 16.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.18 118.29 0.8 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -114.42 158.52 21.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -141.91 106.81 4.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.814 HG23 ' O ' ' A' ' 80' ' ' CYS . 5.4 mp -120.04 113.25 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.08 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.55 139.46 8.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.602 HG12 HG23 ' A' ' 105' ' ' ILE . 2.5 mp -39.68 -59.3 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.681 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.2 mp -51.14 -57.43 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 97' ' ' ILE . 14.9 mt-10 -50.93 -31.68 18.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.438 ' C ' ' HE3' ' A' ' 115' ' ' LYS . 1.8 m -82.68 -19.48 38.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 126.79 -33.29 3.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.52 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.471 ' HA2' ' CG2' ' A' ' 99' ' ' ILE . . . 135.71 142.27 4.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.721 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.6 pp -45.06 -24.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 111.098 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.721 ' N ' HD12 ' A' ' 105' ' ' ILE . 3.5 m120 -99.03 29.01 4.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.696 HD21 ' HB2' ' A' ' 112' ' ' LEU . 57.2 tp -57.11 117.85 4.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -74.45 162.99 28.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.747 HD12 ' HB3' ' A' ' 51' ' ' HIS . 26.7 tp -58.94 -40.37 84.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -76.63 -43.96 36.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -44.64 -53.27 7.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.696 ' HB2' HD21 ' A' ' 107' ' ' LEU . 61.0 tp -62.77 -43.59 98.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.714 ' O ' HD11 ' A' ' 122' ' ' ILE . 44.5 tt0 -43.46 -37.38 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.616 ' HB2' HD23 ' A' ' 126' ' ' LEU . 24.0 t90 -69.06 -56.72 6.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 119' ' ' VAL . 13.4 mttm -39.67 -47.83 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.427 HD22 HG11 ' A' ' 34' ' ' VAL . 14.1 mt -68.16 -30.83 70.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 120' ' ' GLY . 4.0 t -75.53 -61.06 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -39.61 -31.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 115' ' ' LYS . 98.1 t -76.94 -38.28 28.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.539 ' O ' ' CE2' ' A' ' 32' ' ' TRP . . . 121.42 10.24 6.71 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.52 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -79.47 -45.45 19.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.714 HD11 ' O ' ' A' ' 113' ' ' GLU . 33.8 pt -132.15 -177.42 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.59 89.25 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.2 p -80.31 175.32 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 126' ' ' LEU . 25.9 m-20 -103.55 -33.79 8.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.616 HD23 ' HB2' ' A' ' 114' ' ' TRP . 0.2 OUTLIER -37.64 139.64 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 126' ' ' LEU . 7.4 mm-40 -33.99 108.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -164.76 152.4 11.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -81.29 42.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.2 t -145.72 167.43 23.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 105.4 89.3 2.1 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.547 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -35.52 12.58 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.3 p 46.25 42.73 10.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.4 t -88.73 -47.38 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.454 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 p -46.31 172.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 110.89 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.3 p -73.87 172.92 10.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.49 -138.43 5.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -169.05 124.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.935 0.398 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 t -89.93 40.0 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.492 ' CA ' ' HB2' ' A' ' 60' ' ' PRO . . . -49.82 175.85 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.519 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -114.38 -45.46 3.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -121.68 -68.63 0.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.55 41.8 8.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -175.01 154.93 1.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.6 tp -88.15 121.32 30.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -106.07 170.53 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -128.12 133.14 48.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 20' ' ' TYR . 42.7 pt -127.53 174.13 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -106.98 -179.15 3.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.4 -43.74 96.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -63.24 -36.52 83.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' TYR . 32.1 mt-30 -77.24 -36.46 54.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.561 ' HA ' HD12 ' A' ' 15' ' ' ILE . 1.6 t80 -35.56 -50.71 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.404 ' C ' ' N ' ' A' ' 23' ' ' GLU . 57.3 t -69.65 -64.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -49.13 -17.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 7.1 mm-40 -105.06 -75.43 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.566 ' HA ' HG11 ' A' ' 33' ' ' VAL . 46.4 t -55.8 -58.52 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 21' ' ' VAL . 86.5 m -60.89 -69.61 0.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -80.38 38.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.636 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -64.5 172.39 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -59.36 158.84 8.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -55.15 135.26 49.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 42.59 49.55 4.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.636 HD23 ' HB1' ' A' ' 27' ' ' ALA . 57.1 tp -111.06 116.14 30.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.566 ' CE3' ' HA ' ' A' ' 121' ' ' ALA . 83.6 m95 -74.61 99.06 3.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.566 HG11 ' HA ' ' A' ' 24' ' ' VAL . 59.4 t -101.11 114.54 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 86' ' ' VAL . 85.6 t -112.57 106.82 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.552 HD13 ' CE2' ' A' ' 20' ' ' TYR . 16.8 tt -99.39 159.49 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -150.53 111.18 4.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 67' ' ' ALA . 8.9 mt -74.04 114.04 11.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -114.53 159.02 20.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.533 ' HE ' HG23 ' A' ' 42' ' ' VAL . 6.4 ptt180 -175.26 129.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.492 ' O ' ' C ' ' A' ' 41' ' ' SER . 36.2 t -35.77 -58.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.492 ' C ' ' O ' ' A' ' 40' ' ' SER . 58.4 m -31.07 -43.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.533 HG23 ' HE ' ' A' ' 39' ' ' ARG . 15.6 t -91.85 129.15 43.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.6 0.714 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -51.22 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.372 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.851 ' SD ' HG23 ' A' ' 99' ' ' ILE . 7.8 mtp -54.34 -54.11 44.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.2 m -38.36 -38.22 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.06 -68.49 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.2 p -50.66 -38.41 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 44' ' ' MET . 96.1 t -62.21 -40.16 86.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.531 ' HA ' HD12 ' A' ' 52' ' ' LEU . 3.0 m-20 -57.25 -44.94 84.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -54.95 -49.59 70.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -56.68 -46.43 81.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.595 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 49' ' ' ASN . 27.4 mt -52.4 -41.97 63.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.4 t -54.79 -38.47 67.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.2 t -80.26 -41.55 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 40.9 mt -63.72 -28.01 69.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.3 -49.23 74.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -72.26 -36.13 68.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -62.46 -49.51 75.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.588 ' CZ ' HD12 ' A' ' 122' ' ' ILE . 40.4 m-85 -112.84 91.64 18.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.492 ' HB2' ' CA ' ' A' ' 7' ' ' GLY . 53.9 Cg_endo -69.82 -36.08 11.3 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.322 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -55.36 -54.89 38.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.6 m -68.83 120.35 14.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -76.34 116.83 17.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.36 126.24 51.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.8 m -139.61 142.58 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.02 141.75 49.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.532 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -162.46 138.96 7.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 32.1 mt -72.82 142.06 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 69' ' ' VAL . 7.7 p -78.61 44.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -86.11 119.69 26.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.5 t 60.97 30.22 19.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 3.7 m -99.71 -45.27 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.2 tt -146.23 164.6 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 75' ' ' HIS . 12.5 tt0 -97.01 -55.04 2.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 74' ' ' GLU . 14.4 m170 -34.04 -65.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.403 ' CD2' ' HB2' ' A' ' 80' ' ' CYS . 3.3 m-85 -39.11 116.63 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.408 ' CG ' ' H ' ' A' ' 78' ' ' ASP . 5.4 p80 -128.87 -60.06 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.408 ' H ' ' CG ' ' A' ' 77' ' ' HIS . 12.0 t70 -134.95 -69.44 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -72.74 65.3 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.744 ' O ' HG23 ' A' ' 97' ' ' ILE . 27.1 p -132.87 -42.93 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.536 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 26.5 mt -96.57 152.09 38.38 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.601 0.715 . . . . 0.0 110.922 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.75 163.75 80.97 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.371 -0.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.619 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 54.8 m -138.96 141.18 38.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 70.6 mt -143.52 121.47 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.619 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 77.7 m-85 -123.17 136.68 54.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 34' ' ' VAL . 24.6 t -111.96 115.36 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 43.5 m-85 -115.48 128.82 56.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.509 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 19.5 ttpt -122.1 -60.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -109.13 38.87 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.49 18.15 76.39 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.593 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 42.7 mt-30 -126.51 -174.93 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 110.889 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 79.2 mt -104.68 85.05 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -55.18 -35.18 64.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.88 126.26 1.33 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.527 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.53 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 14.9 pttm -115.43 148.16 39.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 5.8 m-85 -140.32 105.0 4.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.744 HG23 ' O ' ' A' ' 80' ' ' CYS . 5.0 mp -124.43 129.41 73.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 112.69 124.52 4.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.851 HG23 ' SD ' ' A' ' 44' ' ' MET . 60.9 mt -35.59 -53.58 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 111.129 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.2 mt -64.4 -49.46 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 25.5 mt-10 -51.42 -33.02 28.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.7 t -90.2 23.31 2.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.07 -46.68 1.69 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.43 160.42 11.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.647 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -50.41 -20.47 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.647 ' N ' HD12 ' A' ' 105' ' ' ILE . 8.7 p-10 -101.79 25.75 8.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.42 HD21 ' HB2' ' A' ' 112' ' ' LEU . 7.9 tp -67.8 122.21 17.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -80.94 162.65 23.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 29.1 tp -61.71 -40.15 94.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 111' ' ' GLU . 19.9 pt-20 -73.24 -42.04 63.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 4.6 mm-40 -47.37 -54.78 10.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.42 ' HB2' HD21 ' A' ' 107' ' ' LEU . 63.9 tp -58.94 -43.57 91.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.401 ' O ' HD11 ' A' ' 122' ' ' ILE . 13.5 tt0 -43.61 -41.29 4.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.49 ' HB2' HD12 ' A' ' 126' ' ' LEU . 24.0 t90 -67.47 -56.48 9.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -38.04 -52.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.485 HD22 HG11 ' A' ' 34' ' ' VAL . 13.3 mt -65.91 -31.95 73.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 120' ' ' GLY . 3.7 t -72.53 -62.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -38.93 -37.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 71.5 t -72.72 -38.13 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 121.35 3.07 10.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.566 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -68.65 -40.38 80.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.328 . . . . 0.0 111.097 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.588 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 34.6 pt -140.39 -176.02 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -125.4 102.56 7.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.1 p -101.88 160.33 14.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -57.97 -42.13 84.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 114' ' ' TRP . 10.6 mt -58.87 108.78 0.7 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.75 152.46 26.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.403 ' OE1' ' C ' ' A' ' 128' ' ' GLU . 0.1 OUTLIER -149.62 111.05 4.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.36 110.71 17.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.7 t -105.16 80.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.406 ' HA3' ' HD2' ' A' ' 132' ' ' PRO . . . 79.67 -128.26 8.43 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.449 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.406 ' HD2' ' HA3' ' A' ' 131' ' ' GLY . 53.5 Cg_endo -69.8 141.43 45.04 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.311 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.6 t -91.03 -50.86 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 36.9 t -124.92 138.53 54.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -105.07 -59.06 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 56.25 31.3 18.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.74 142.23 16.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -46.02 172.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.378 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -55.48 107.62 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.67 -169.32 15.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -106.02 -56.17 2.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -116.64 -70.78 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.34 49.25 5.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.49 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.441 ' OE2' ' C ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -175.11 168.24 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.0 110.88 -179.838 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.441 ' C ' ' OE2' ' A' ' 11' ' ' GLU . 29.8 tp -107.63 126.78 53.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' HG2' ' CD ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -121.78 -177.96 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -133.69 134.9 43.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 20' ' ' TYR . 42.8 pt -122.79 167.46 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.7 p -96.52 178.99 5.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.52 -49.89 66.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -58.83 -32.54 69.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -79.64 -32.69 41.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.837 ' CE2' HD13 ' A' ' 35' ' ' ILE . 3.3 t80 -38.62 -52.48 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.503 HG13 ' CB ' ' A' ' 25' ' ' THR . 53.2 t -67.94 -70.21 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -43.16 -22.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.441 ' O ' ' CA ' ' A' ' 27' ' ' ALA . 69.6 mm-40 -98.37 -75.57 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.453 HG22 HG11 ' A' ' 33' ' ' VAL . 24.7 t -60.13 -58.35 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.503 ' CB ' HG13 ' A' ' 21' ' ' VAL . 89.5 m -56.84 -67.51 0.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -83.07 34.23 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.522 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -58.99 166.48 2.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.517 ' HB3' HD22 ' A' ' 31' ' ' LEU . 21.6 tt0 -50.5 154.49 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.456 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -50.84 139.09 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.413 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 5.1 p-10 37.77 49.83 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.522 HD23 ' HB1' ' A' ' 27' ' ' ALA . 12.8 tp -115.49 123.9 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.558 ' CZ3' ' HG3' ' A' ' 93' ' ' GLU . 73.8 m95 -84.04 112.12 19.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.715 HG13 ' HG2' ' A' ' 63' ' ' LYS . 91.1 t -110.64 120.39 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.534 HG11 HD22 ' A' ' 116' ' ' LEU . 91.7 t -109.6 109.9 30.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.837 HD13 ' CE2' ' A' ' 20' ' ' TYR . 9.3 tt -98.62 145.8 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -137.23 112.74 9.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.507 HD12 ' HB ' ' A' ' 83' ' ' THR . 8.6 mt -79.21 99.55 7.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -90.29 157.57 17.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -151.03 122.45 7.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -53.49 -25.98 18.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.6 m -71.21 -33.77 70.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 t -90.94 120.16 68.74 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -25.27 28.69 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -51.24 60.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 46' ' ' LEU . 1.9 p -42.27 -42.34 3.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.438 ' N ' ' SG ' ' A' ' 45' ' ' CYS . 85.4 mt -45.3 -59.55 2.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.431 HG12 ' NE2' ' A' ' 51' ' ' HIS . 21.6 t -55.12 -41.1 57.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.4 t -61.62 -41.75 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -67.02 -32.29 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -63.79 -41.68 97.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.431 ' NE2' HG12 ' A' ' 47' ' ' VAL . 31.8 m-70 -73.19 -51.11 19.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.579 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.6 mt -47.11 -23.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -71.7 -55.38 7.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -72.42 -29.16 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.36 -17.75 62.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.419 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -80.11 -43.75 21.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.078 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.79 -27.49 55.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HG2' ' CE1' ' A' ' 59' ' ' PHE . 40.7 tttt -74.49 -44.23 52.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.405 ' CE1' ' HG2' ' A' ' 58' ' ' LYS . 36.7 m-85 -117.02 83.75 15.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.694 0.759 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.65 30.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.307 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -70.26 -25.0 63.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.4 m -95.75 129.38 42.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.715 ' HG2' HG13 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -74.58 136.99 42.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.419 ' CD2' ' HA ' ' A' ' 56' ' ' ALA . 88.9 m-85 -131.56 112.37 12.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.46 148.54 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -129.32 143.16 50.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.77 154.54 43.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.8 mt -95.24 143.33 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.8 m -91.0 44.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -74.74 -50.5 17.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 m -129.88 43.5 3.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.9 t -104.75 -55.75 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 34.1 mt -141.61 121.8 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 75' ' ' HIS . 6.9 mm-40 -69.48 -44.6 70.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 74' ' ' GLU . 10.8 m170 -35.47 -34.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 74' ' ' GLU . 5.3 m-85 -64.47 128.35 35.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -129.36 -56.56 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -174.76 173.69 2.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 56.08 44.18 25.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 29.0 p -133.88 -44.33 0.8 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 16.2 mt -72.64 153.22 91.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.566 0.698 . . . . 0.0 110.949 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.72 176.94 30.51 Favored 'Cis proline' 0 C--O 1.232 0.212 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.39 -0.157 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.507 ' HB ' HD12 ' A' ' 37' ' ' LEU . 27.5 m -149.64 133.83 17.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.6 mt -135.32 141.01 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.409 ' O ' HG22 ' A' ' 35' ' ' ILE . 48.3 m-85 -139.78 109.88 6.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.5 t -88.7 136.63 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 23.9 m-85 -125.01 134.14 52.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -110.67 -57.93 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -128.77 39.79 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 90.04 21.97 37.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.51 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 1.0 OUTLIER -130.66 -175.43 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.32 . . . . 0.0 110.936 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.508 HG21 ' HE2' ' A' ' 95' ' ' LYS . 39.7 mt -104.57 83.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.558 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 40.0 mm-40 -56.81 -37.58 71.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -161.67 136.91 4.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.508 ' HE2' HG21 ' A' ' 92' ' ' ILE . 15.3 ptpt -129.9 144.53 51.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.329 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.466 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 3.0 m-85 -134.12 105.73 6.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.7 mp -117.18 117.52 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.57 130.74 4.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.426 HG22 ' HA2' ' A' ' 104' ' ' GLY . 97.2 mt -43.63 -45.79 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 111.096 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.464 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.1 mp -71.73 -40.14 69.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.43 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 13.2 mt-10 -61.04 -23.42 65.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.416 ' C ' ' HE3' ' A' ' 115' ' ' LYS . 30.5 t -101.33 22.32 12.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.29 -41.42 2.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 107' ' ' LEU . . . 109.93 159.96 18.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 1.026 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.3 pp -44.58 -25.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 111.122 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 1.026 ' N ' HD12 ' A' ' 105' ' ' ILE . 25.8 m120 -90.17 24.2 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.805 HD21 ' HB2' ' A' ' 112' ' ' LEU . 63.5 tp -62.65 119.02 8.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -88.84 147.03 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.0 tp -43.69 -31.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -80.72 -52.93 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -40.99 -54.52 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.805 ' HB2' HD21 ' A' ' 107' ' ' LEU . 45.1 tp -65.7 -35.7 81.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.502 ' O ' HD11 ' A' ' 122' ' ' ILE . 34.4 tt0 -56.92 -35.55 69.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.757 ' HB2' HD23 ' A' ' 126' ' ' LEU . 23.6 t90 -73.86 -54.49 7.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.607 ' O ' HG23 ' A' ' 119' ' ' VAL . 30.2 mttm -38.65 -51.78 1.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.534 HD22 HG11 ' A' ' 34' ' ' VAL . 17.2 mt -65.75 -31.12 71.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.9 t -72.98 -62.45 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -40.21 -27.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 115' ' ' LYS . 81.6 t -78.91 -39.31 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 123.76 2.23 8.78 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.18 -45.37 60.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.725 0.298 . . . . 0.0 111.067 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.502 HD11 ' O ' ' A' ' 113' ' ' GLU . 35.8 pt -134.64 -175.33 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -122.12 103.2 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.473 ' HB2' HD22 ' A' ' 126' ' ' LEU . 52.4 p -88.88 178.41 6.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -113.46 -26.65 8.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.757 HD23 ' HB2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -54.33 117.46 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 128' ' ' GLU . 9.3 pt-20 -116.88 133.05 56.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 127' ' ' GLU . 4.8 tt0 36.79 42.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -71.5 -49.34 42.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.8 t -134.33 169.14 17.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -66.76 127.71 28.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 109.24 2.27 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.682 2.255 . . . . 0.0 112.342 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 70.9 m -159.26 134.06 8.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 26.2 t -53.42 -53.06 56.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 m -148.72 148.67 30.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 0.0 110.848 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -161.95 171.61 17.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.38 69.31 0.25 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -95.18 169.84 9.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.39 . . . . 0.0 110.801 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 p -65.91 -43.25 88.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.821 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.62 167.63 13.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -121.98 -41.93 2.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.786 0.326 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -105.05 -176.07 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.67 41.81 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -175.35 162.58 2.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.3 tp -83.83 126.26 32.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -115.39 -178.22 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -137.64 147.19 44.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 20' ' ' TYR . 37.9 pt -134.31 171.21 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.9 p -102.68 177.5 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -57.49 -74.77 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.457 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -39.88 -33.05 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' TYR . 16.0 mm-40 -75.69 -39.55 57.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.702 ' CE2' HD13 ' A' ' 35' ' ' ILE . 2.1 t80 -35.4 -48.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.595 HG13 ' CB ' ' A' ' 25' ' ' THR . 91.9 t -73.57 -67.02 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -46.55 -18.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.947 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 5.5 mm-40 -101.36 -68.85 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.411 HG12 ' CG ' ' A' ' 87' ' ' TYR . 39.8 t -66.62 -51.76 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.595 ' CB ' HG13 ' A' ' 21' ' ' VAL . 28.7 m -66.95 -68.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -78.27 40.09 0.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.947 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -81.62 166.61 20.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 22.1 tt0 -53.89 151.68 6.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' LYS . 10.8 tttm -64.06 -59.54 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -89.22 50.83 2.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 5.9 tp -138.7 138.53 37.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.551 ' CZ2' ' HE3' ' A' ' 88' ' ' LYS . 91.3 m95 -102.46 119.59 39.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.1 t -113.92 101.99 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.594 HG22 HG22 ' A' ' 86' ' ' VAL . 94.6 t -97.71 101.31 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.702 HD13 ' CE2' ' A' ' 20' ' ' TYR . 13.0 tt -92.83 146.5 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -130.18 102.08 6.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.459 HD22 HG22 ' A' ' 69' ' ' VAL . 83.0 mt -64.71 120.31 12.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.455 ' CD1' ' HB2' ' A' ' 66' ' ' LYS . 16.4 p90 -128.32 141.93 51.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.731 ' CG ' HG23 ' A' ' 42' ' ' VAL . 2.0 ptp180 -117.96 24.5 10.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 39' ' ' ARG . 1.2 t 37.43 27.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' ARG . 1.9 m -131.5 -32.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.731 HG23 ' CG ' ' A' ' 39' ' ' ARG . 5.2 t -78.56 136.34 59.8 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.623 0.725 . . . . 0.0 111.156 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 53.8 Cg_endo -69.76 -36.42 10.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.365 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.405 ' SD ' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -58.95 -40.25 84.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.42 -51.32 47.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.2 mt -43.86 -45.42 7.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.441 HG12 ' NE2' ' A' ' 51' ' ' HIS . 90.2 t -67.35 -44.5 87.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 52' ' ' LEU . 54.0 t -58.44 -44.12 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -59.65 -40.55 88.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -57.16 -46.86 82.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.486 ' CB ' HD23 ' A' ' 112' ' ' LEU . 20.0 m-70 -68.06 -51.39 47.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.631 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.456 ' CD1' HG12 ' A' ' 48' ' ' VAL . 55.7 mt -51.98 -38.26 56.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.9 t -54.69 -57.21 12.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.0 p -72.06 -29.8 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt -71.22 -18.57 62.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.438 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . . . -76.38 -43.04 42.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.078 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -80.23 -38.62 30.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -64.3 -43.87 93.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -116.34 92.31 36.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.718 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -33.42 16.52 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.661 2.24 . . . . 0.0 112.361 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -54.04 -49.47 68.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 87.2 m -70.95 127.06 31.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -93.37 89.76 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.438 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 40.4 m-85 -76.37 135.29 39.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.7 m -150.07 137.2 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . 28.7 pttt -110.03 137.59 47.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.08 134.59 38.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 85.6 mt -73.49 137.03 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.586 ' O ' HG12 ' A' ' 69' ' ' VAL . 42.3 t -75.71 52.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -95.8 94.23 7.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.5 t 52.6 42.02 31.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 97.4 m -103.52 -47.85 4.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.2 mt -122.39 134.01 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -83.23 168.17 17.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 63.7 41.29 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -131.39 83.76 2.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.502 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 12.4 p-80 -95.15 -46.7 6.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.502 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 15.1 t70 -175.11 173.52 2.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 56.02 39.31 30.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.413 ' O ' HG23 ' A' ' 97' ' ' ILE . 6.0 p -128.24 -34.03 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.54 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 25.1 mt -90.24 154.77 46.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.71 173.52 44.09 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.309 -0.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.541 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 51.5 m -147.35 141.72 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.602 HG23 ' O ' ' A' ' 35' ' ' ILE . 58.7 mt -143.74 136.32 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.184 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.541 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 71.8 m-85 -133.25 118.58 18.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.594 HG22 HG22 ' A' ' 34' ' ' VAL . 43.1 t -92.55 127.28 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.411 ' CG ' HG12 ' A' ' 24' ' ' VAL . 14.0 m-85 -118.93 132.76 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.551 ' HE3' ' CZ2' ' A' ' 32' ' ' TRP . 18.8 tptp -124.07 -48.4 1.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -126.42 41.97 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.5 23.52 67.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -134.7 -174.43 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.627 HG21 ' HE2' ' A' ' 95' ' ' LYS . 81.9 mt -105.72 84.14 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -54.13 -36.16 62.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -163.75 123.88 1.22 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.627 ' HE2' HG21 ' A' ' 92' ' ' ILE . 18.8 ptpt -115.58 148.4 39.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 2.3 m-85 -137.4 105.36 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.487 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.6 mp -118.24 119.44 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 117.93 137.89 5.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.519 HD13 ' CD ' ' A' ' 82' ' ' PRO . 39.1 mm -41.14 -62.32 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 111.111 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.7 mt -57.68 -51.84 65.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.458 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 11.8 mt-10 -47.59 -37.62 12.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.612 ' O ' HD22 ' A' ' 107' ' ' LEU . 1.8 m -90.56 28.75 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.452 ' HA3' HD22 ' A' ' 107' ' ' LEU . . . 97.56 -53.2 1.3 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.543 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.471 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 117.64 162.64 12.55 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.577 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -55.91 -16.81 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.339 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.577 ' N ' HD12 ' A' ' 105' ' ' ILE . 11.9 p30 -111.66 25.46 11.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.875 HD21 ' HB2' ' A' ' 112' ' ' LEU . 22.9 tp -71.2 125.91 28.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -78.02 165.44 24.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 51' ' ' HIS . 30.1 tp -66.24 -38.68 88.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -73.56 -44.64 56.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -48.71 -56.71 7.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.875 ' HB2' HD21 ' A' ' 107' ' ' LEU . 40.9 tp -55.45 -45.36 76.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.433 ' O ' HD11 ' A' ' 122' ' ' ILE . 37.7 tt0 -45.99 -42.34 13.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.452 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.0 t90 -60.11 -52.45 65.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.498 ' O ' HG23 ' A' ' 119' ' ' VAL . 35.2 mttm -40.43 -49.33 2.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.3 mt -68.52 -31.16 70.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 120' ' ' GLY . 13.9 t -72.72 -62.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -40.49 -35.08 0.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 115' ' ' LYS . 89.2 t -72.67 -39.11 60.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.506 ' O ' ' CZ2' ' A' ' 32' ' ' TRP . . . 122.67 8.35 6.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.513 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -75.78 -47.43 25.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.744 0.307 . . . . 0.0 111.08 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.433 HD11 ' O ' ' A' ' 113' ' ' GLU . 23.5 pt -132.9 179.89 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -118.69 99.89 7.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.3 p -99.66 147.02 25.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -49.93 -48.73 51.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 28.1 mt -52.47 109.15 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -102.17 143.75 31.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.41 ' CD ' ' CZ2' ' A' ' 114' ' ' TRP . 10.2 mt-10 -156.47 166.69 32.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -88.64 43.51 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.2 p -38.03 -39.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 135.73 160.68 8.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 105.37 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.33 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 92.3 p -104.69 167.67 9.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 54.3 m -133.1 123.33 25.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.445 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 m -73.5 124.39 25.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.84 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -43.12 160.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.65 -120.62 0.54 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 p -66.04 172.86 3.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 m -80.36 43.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.504 ' HA3' ' CB ' ' A' ' 60' ' ' PRO . . . 73.7 170.21 20.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.478 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.583 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 1.4 ptmm? -121.48 -16.23 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.583 ' CE1' ' HG3' ' A' ' 8' ' ' LYS . 13.5 m-85 -122.32 -72.68 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.09 40.25 95.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.84 159.33 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.9 tp -97.5 133.34 42.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.2 mmm-85 -120.76 177.94 4.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -135.28 138.85 43.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 20' ' ' TYR . 30.3 pt -132.51 168.42 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 p -99.51 177.92 5.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -58.05 -75.48 0.26 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.408 ' O ' ' OD1' ' A' ' 22' ' ' ASN . 40.9 m-20 -39.07 -34.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 20' ' ' TYR . 13.7 mm-40 -72.7 -40.19 66.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.754 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.9 t80 -33.74 -47.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.409 ' C ' ' N ' ' A' ' 23' ' ' GLU . 88.0 t -69.32 -69.45 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.147 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 18' ' ' ASN . 1.5 m120 -45.21 -21.18 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.587 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 74.9 mm-40 -100.14 -75.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.519 HG12 ' CG ' ' A' ' 87' ' ' TYR . 47.0 t -57.26 -54.93 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.5 m -63.38 -66.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.172 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -81.75 37.8 0.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -67.51 171.24 6.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.759 ' HB3' HD22 ' A' ' 31' ' ' LEU . 4.3 tp10 -50.96 147.25 5.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 23.0 tttp -56.82 137.39 54.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER 46.0 48.26 12.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.759 HD22 ' HB3' ' A' ' 28' ' ' GLU . 6.0 tp -122.72 140.48 52.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.555 ' CZ3' ' HG3' ' A' ' 93' ' ' GLU . 94.3 m95 -90.38 127.13 36.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.418 HG11 ' HA ' ' A' ' 24' ' ' VAL . 98.9 t -126.64 111.55 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.489 HG22 HG22 ' A' ' 86' ' ' VAL . 68.9 t -105.49 103.79 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.754 HD13 ' CD2' ' A' ' 20' ' ' TYR . 8.4 tt -96.07 143.62 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -131.86 124.85 30.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.703 HD12 ' HB ' ' A' ' 83' ' ' THR . 10.7 mt -95.44 146.24 24.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.436 ' CB ' ' HB2' ' A' ' 45' ' ' CYS . 21.0 p90 -146.0 139.6 26.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.682 ' CG ' HG23 ' A' ' 42' ' ' VAL . 13.3 ptm180 -110.71 23.15 14.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.6 m 40.51 25.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 39' ' ' ARG . 3.6 p -128.02 -30.16 2.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.682 HG23 ' CG ' ' A' ' 39' ' ' ARG . 2.3 t -81.15 136.79 49.71 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.646 0.736 . . . . 0.0 111.162 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.489 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 54.1 Cg_endo -69.75 -10.36 28.38 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' ' 46' ' ' LEU . 7.5 mtp -87.2 -59.4 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.492 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 16.4 p -37.63 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 44' ' ' MET . 69.5 mt -68.44 -64.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 44' ' ' MET . 6.4 p -55.45 -38.89 50.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.14 -41.98 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 45' ' ' CYS . 15.5 m-80 -58.09 -43.95 87.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -58.07 -46.29 85.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 109' ' ' LEU . 10.4 m-70 -61.65 -47.96 83.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.8 mt -45.37 -56.24 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 p -47.54 -39.03 15.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.4 t -77.73 -36.45 22.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.534 HD13 ' CD1' ' A' ' 116' ' ' LEU . 30.8 mt -69.04 -30.69 69.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.446 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -66.34 -47.25 74.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.094 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -75.12 -29.26 60.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.59 ' HE3' ' CZ ' ' A' ' 59' ' ' PHE . 29.3 ttpt -71.58 -47.2 56.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.59 ' CZ ' ' HE3' ' A' ' 58' ' ' LYS . 33.2 m-85 -121.61 94.42 48.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.671 0.748 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.504 ' CB ' ' HA3' ' A' ' 7' ' ' GLY . 53.5 Cg_endo -69.73 -35.14 13.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.707 2.271 . . . . 0.0 112.353 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -55.1 -44.68 75.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.5 m -78.38 125.09 28.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -75.24 141.52 43.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.446 ' CD2' ' HA ' ' A' ' 56' ' ' ALA . 98.0 m-85 -131.96 120.15 22.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.1 m -143.23 138.91 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.89 138.75 51.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.47 152.63 50.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 90.3 mt -93.69 129.83 43.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.436 HG22 HD22 ' A' ' 37' ' ' LEU . 10.9 t -75.82 54.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -107.24 -49.11 3.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.3 t -127.76 53.18 1.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.822 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.8 p -120.13 -44.43 2.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.592 HG21 ' CD1' ' A' ' 76' ' ' TYR . 18.9 tt -145.97 154.01 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.099 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -108.32 41.44 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -126.43 -39.65 2.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.592 ' CD1' HG21 ' A' ' 73' ' ' ILE . 5.1 m-85 -57.08 109.84 0.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.445 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 41.1 p-80 -101.29 -55.44 2.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.445 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 13.3 t70 -172.24 176.14 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.5 t30 46.23 47.6 13.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.4 p -126.79 -41.87 1.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 56.9 mt -85.26 155.36 60.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.566 0.698 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.0 Cg_endo -69.76 160.45 88.01 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.377 -0.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.703 ' HB ' HD12 ' A' ' 37' ' ' LEU . 87.6 m -138.37 124.04 19.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.4 mt -121.73 125.5 73.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.569 ' O ' HG22 ' A' ' 35' ' ' ILE . 38.9 m-85 -122.86 116.97 24.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.489 HG22 HG22 ' A' ' 34' ' ' VAL . 66.6 t -95.71 134.26 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.519 ' CG ' HG12 ' A' ' 24' ' ' VAL . 7.6 m-85 -122.52 133.77 54.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . 15.0 tptp -121.87 -58.39 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -121.46 46.22 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.34 19.44 78.27 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -134.93 176.43 8.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 77.6 mt -95.43 90.59 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 13.3 mm-40 -63.91 -32.99 74.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.89 123.22 1.21 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.459 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -114.7 139.88 49.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 3.1 m-85 -129.46 101.68 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.479 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.7 mp -117.42 121.45 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.85 134.7 6.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.484 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.454 HG23 ' SD ' ' A' ' 44' ' ' MET . 47.4 mt -42.81 -56.6 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 111.158 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mp -58.49 -53.92 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 16.9 mt-10 -47.16 -35.81 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.6 t -90.23 31.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.456 ' N ' ' HE3' ' A' ' 115' ' ' LYS . . . 89.25 -47.05 3.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.455 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 118.95 166.86 13.62 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.577 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -57.06 -13.71 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 111.12 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.577 ' N ' HD12 ' A' ' 105' ' ' ILE . 76.7 m-20 -93.28 -16.37 24.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.669 HD21 ' HB2' ' A' ' 112' ' ' LEU . 3.5 tp -34.96 121.25 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.1 157.48 16.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.497 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 4.9 tp -46.69 -42.22 16.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -70.06 -41.47 74.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -53.46 -54.85 31.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.669 ' HB2' HD21 ' A' ' 107' ' ' LEU . 35.1 tp -57.83 -47.35 82.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.718 ' O ' HD11 ' A' ' 122' ' ' ILE . 20.7 tt0 -44.25 -43.45 7.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.481 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.9 t90 -65.29 -53.66 40.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.456 ' HE3' ' N ' ' A' ' 103' ' ' GLY . 19.8 mttm -38.75 -51.14 1.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.534 ' CD1' HD13 ' A' ' 55' ' ' LEU . 13.3 mt -66.72 -31.52 72.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 114' ' ' TRP . 12.3 t -71.76 -60.57 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -41.16 -34.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 73.5 t -73.58 -37.62 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 118.65 10.34 8.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.514 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -78.67 -43.73 25.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.75 0.309 . . . . 0.0 111.09 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.718 HD11 ' O ' ' A' ' 113' ' ' GLU . 19.6 pt -132.13 -179.02 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -116.77 102.08 9.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.8 p -90.24 175.16 7.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.72 -29.9 5.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.3 mp -39.3 145.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -39.88 160.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 54.83 42.09 31.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -94.69 139.5 31.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.2 t -106.96 168.59 9.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 96.6 145.96 20.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 178.43 4.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 134' ' ' SER . 92.6 p -119.16 85.57 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 133' ' ' SER . 72.4 m 38.18 42.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.452 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.9 p -154.08 127.73 8.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -150.98 154.53 37.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.88 166.09 13.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.483 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -163.53 171.49 15.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.937 0.398 . . . . 0.0 110.803 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.3 p -129.11 -58.77 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.59 -142.63 6.78 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.572 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -114.22 -39.14 3.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.815 0.341 . . . . 0.0 110.922 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.572 ' CE1' ' HG3' ' A' ' 8' ' ' LYS . 6.2 m-85 -112.37 -176.99 3.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.26 37.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.539 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -174.99 166.76 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.478 HD21 ' HD3' ' A' ' 66' ' ' LYS . 22.9 tp -94.36 108.51 20.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.7 mtp85 -97.25 167.81 10.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -119.15 131.98 55.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 20' ' ' TYR . 42.7 pt -123.49 165.21 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.1 p -95.29 161.78 13.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 20' ' ' TYR . . . -48.25 -59.06 6.66 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -52.82 -30.85 35.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 20' ' ' TYR . 26.5 mm100 -76.87 -40.04 48.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.839 ' CE2' HD13 ' A' ' 35' ' ' ILE . 1.5 t80 -34.42 -45.85 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.917 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.4 t -69.41 -71.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -43.56 -23.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.625 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 45.4 mm-40 -96.87 -73.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 20' ' ' TYR . 39.3 t -59.15 -56.2 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 m -61.72 -70.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -81.94 39.13 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.715 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -63.58 153.81 34.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.448 ' HB3' HD22 ' A' ' 31' ' ' LEU . 4.7 tp10 -38.3 152.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 30' ' ' ASP . 2.3 tppp? -49.29 141.48 8.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' LYS . 3.1 m-20 33.84 50.46 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.715 HD23 ' HB1' ' A' ' 27' ' ' ALA . 11.5 tp -112.9 121.5 44.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.562 ' CE3' ' HA ' ' A' ' 121' ' ' ALA . 80.6 m95 -79.23 115.02 18.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.2 t -114.15 121.82 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.564 HG11 HD22 ' A' ' 116' ' ' LEU . 94.5 t -114.43 101.54 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.839 HD13 ' CE2' ' A' ' 20' ' ' TYR . 14.9 tt -95.12 152.44 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.535 ' CE1' ' HB3' ' A' ' 38' ' ' TYR . 9.7 t-80 -140.64 121.32 14.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.572 HD22 HG22 ' A' ' 69' ' ' VAL . 9.0 mt -85.5 111.83 20.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.535 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 4.1 p90 -121.71 158.83 27.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -144.37 179.17 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 t -102.2 34.26 2.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 m -132.36 -29.93 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.479 HG12 ' H ' ' A' ' 44' ' ' MET . 12.0 t -91.57 123.81 62.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.651 0.739 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -22.57 31.83 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.595 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -73.49 -65.05 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 44' ' ' MET . 8.8 p -36.01 -33.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' MET . 31.6 mt -53.47 -64.25 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 44' ' ' MET . 5.9 p -57.13 -36.63 52.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.572 HG23 ' SD ' ' A' ' 44' ' ' MET . 93.1 t -55.88 -45.85 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.165 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -59.67 -44.78 93.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -49.22 -50.86 36.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.446 ' NE2' ' O ' ' A' ' 107' ' ' LEU . 69.9 m-70 -65.95 -46.84 76.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.574 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.462 HD12 HG12 ' A' ' 48' ' ' VAL . 35.6 mt -57.47 -27.0 62.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -69.57 -51.38 35.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.2 p -74.98 -28.99 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.159 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.5 mt -70.45 -19.08 62.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.77 -49.64 57.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.429 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 2.2 ptm85 -70.71 -38.91 73.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -57.58 -49.32 76.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.433 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 46.4 m-85 -111.93 84.16 5.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.649 0.738 . . . . 0.0 110.925 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -18.19 37.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.309 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -71.19 -43.1 68.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.6 m -85.05 130.64 34.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.177 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.411 ' HD2' ' CZ ' ' A' ' 9' ' ' PHE . 10.9 tttt -76.48 141.23 41.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -132.79 116.72 16.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.7 m -134.41 142.26 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.478 ' HD3' HD21 ' A' ' 12' ' ' LEU . 16.5 pttt -119.25 130.82 55.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.61 139.54 45.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.527 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 36.9 mm -78.91 139.37 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.572 HG22 HD22 ' A' ' 37' ' ' LEU . 91.8 t -74.48 -43.54 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 69' ' ' VAL . 11.0 t-20 -32.97 -42.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 m -88.76 -54.38 4.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.423 ' C ' HG13 ' A' ' 73' ' ' ILE . 49.5 t -45.65 -57.67 4.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.436 ' O ' HG12 ' A' ' 69' ' ' VAL . 77.4 mt -147.97 132.78 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 75' ' ' HIS . 16.2 tt0 -89.45 -37.22 14.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 74' ' ' GLU . 23.9 m170 -33.92 -42.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.46 ' CD1' HG11 ' A' ' 69' ' ' VAL . 12.1 m-85 -39.55 156.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -123.45 -9.58 7.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 t70 75.03 54.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.586 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 5.6 p30 -130.37 -42.2 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.504 ' HB3' HG23 ' A' ' 97' ' ' ILE . 1.8 m -72.77 -44.91 60.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.549 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 31.1 mt -34.99 152.83 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.585 0.707 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.4 Cg_endo -69.76 164.3 79.57 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.323 -0.104 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.491 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 33.5 m -134.57 130.64 36.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.1 mt -130.66 135.98 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.491 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 67.3 m-85 -134.84 121.89 21.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.523 HG22 HG22 ' A' ' 34' ' ' VAL . 97.6 t -100.74 134.98 38.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.484 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 26.7 m-85 -127.3 136.65 52.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.512 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -122.41 -60.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -117.47 43.16 2.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.54 29.79 54.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.484 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 58.5 mt-30 -140.79 -176.97 4.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.756 0.312 . . . . 0.0 110.935 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 86.7 mt -102.31 89.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -60.58 -33.86 73.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -172.08 124.8 1.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -110.34 155.96 21.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -139.52 108.09 5.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.504 HG23 ' HB3' ' A' ' 80' ' ' CYS . 4.8 mp -121.73 126.18 74.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.41 130.06 6.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.661 HG22 ' HA2' ' A' ' 104' ' ' GLY . 84.6 mt -38.49 -59.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 111.108 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.0 mt -54.14 -55.41 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.443 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 9.5 mt-10 -47.1 -37.54 9.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 28.0 m -88.93 28.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.505 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 90.69 -43.2 2.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.661 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 112.15 176.72 19.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.656 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -59.75 -19.4 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.825 0.345 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.656 ' N ' HD12 ' A' ' 105' ' ' ILE . 43.1 m-20 -98.77 25.19 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.684 HD11 ' HB2' ' A' ' 112' ' ' LEU . 54.2 tp -60.42 109.39 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -84.95 152.88 23.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 47.9 tp -49.93 -40.09 42.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -73.29 -49.4 27.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -48.8 -57.43 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.684 ' HB2' HD11 ' A' ' 107' ' ' LEU . 51.9 tp -58.81 -46.34 87.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.525 ' O ' HD11 ' A' ' 122' ' ' ILE . 28.5 tt0 -44.62 -43.57 8.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.496 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.9 t90 -61.93 -56.27 20.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.443 ' HE3' ' N ' ' A' ' 103' ' ' GLY . 20.3 mttm -38.11 -52.17 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.564 HD22 HG11 ' A' ' 34' ' ' VAL . 13.5 mt -64.11 -32.59 74.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 114' ' ' TRP . 10.6 t -70.97 -60.14 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -42.64 -33.71 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 53.2 t -70.92 -38.06 70.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.532 ' O ' ' CZ2' ' A' ' 32' ' ' TRP . . . 121.46 8.86 7.44 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.562 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -77.51 -51.91 9.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.525 HD11 ' O ' ' A' ' 113' ' ' GLU . 35.3 pt -125.32 -179.16 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.468 ' O ' ' CD ' ' A' ' 123' ' ' GLN . 0.0 OUTLIER -123.91 94.52 4.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 125' ' ' ASP . 28.5 t -102.98 133.42 48.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 124' ' ' SER . 5.1 m-20 -36.81 -43.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.41 ' C ' ' HG2' ' A' ' 127' ' ' GLU . 16.0 mt -59.33 111.41 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.41 ' HG2' ' C ' ' A' ' 126' ' ' LEU . 10.6 mm-40 -147.52 169.32 19.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -124.72 153.49 42.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -71.13 -56.92 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 19.9 t -85.24 140.31 30.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -175.8 142.14 5.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 162.63 41.31 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.695 2.263 . . . . 0.0 112.36 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.5 m -148.41 162.28 39.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 32.4 t -119.26 103.6 9.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.833 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.512 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.866 0.365 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -103.33 -177.45 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.24 37.38 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -170.22 165.01 9.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.5 tp -95.53 121.59 37.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.7 mtm-85 -116.37 167.3 11.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -119.11 143.86 46.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 20' ' ' TYR . 29.7 pt -129.0 161.53 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -87.42 176.32 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.27 -64.8 3.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -51.34 -23.71 3.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.758 0.314 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -80.8 -34.69 33.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.572 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.7 t80 -41.43 -46.05 3.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.9 t -72.73 -69.33 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -46.66 -20.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -95.25 -74.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.56 HG22 HG11 ' A' ' 33' ' ' VAL . 14.1 t -63.15 -64.95 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.4 m -48.43 -56.82 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -84.3 25.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 24' ' ' VAL . . . -67.59 172.01 5.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.456 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 4.8 tp10 -56.82 174.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -79.59 -69.24 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -84.92 45.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 12.3 tp -122.53 147.16 46.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.536 ' CZ3' ' HG3' ' A' ' 93' ' ' GLU . 80.0 m95 -113.3 107.38 15.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.56 HG11 HG22 ' A' ' 24' ' ' VAL . 66.9 t -100.53 113.63 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.577 HG11 HD22 ' A' ' 116' ' ' LEU . 85.6 t -109.95 107.33 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.572 HD13 ' CD2' ' A' ' 20' ' ' TYR . 12.2 tt -97.92 147.07 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.567 ' CE1' ' HB ' ' A' ' 48' ' ' VAL . 6.0 t-80 -138.86 106.65 5.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.499 HD12 ' HB ' ' A' ' 83' ' ' THR . 6.6 mt -73.16 122.78 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -122.0 151.81 40.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -138.08 131.46 30.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.4 t -56.54 -14.4 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 p -85.75 -39.54 17.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 t -88.33 122.52 69.6 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.625 0.726 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.537 ' HA ' HD12 ' A' ' 46' ' ' LEU . 53.7 Cg_endo -69.78 -44.28 2.15 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.519 ' HE1' ' O ' ' A' ' 104' ' ' GLY . 0.0 OUTLIER -43.55 -55.92 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' VAL . 33.5 m -48.94 -58.46 4.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 43' ' ' PRO . 61.0 mt -36.49 -48.01 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.2 t -67.26 -41.75 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 39.9 t -58.65 -32.38 46.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -69.65 -36.9 76.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -56.19 -44.23 79.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.52 ' HB3' HD12 ' A' ' 109' ' ' LEU . 34.4 m-70 -67.79 -39.71 84.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.608 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.54 -22.74 67.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.6 t -70.03 -45.01 68.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.475 ' CG1' HD11 ' A' ' 109' ' ' LEU . 7.1 p -85.27 -27.46 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.7 mt -71.61 -16.08 62.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.971 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.05 -40.0 54.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 1.1 ptm85 -81.18 -21.89 39.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -77.79 -41.52 37.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -124.82 86.36 56.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -19.91 35.29 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.669 2.246 . . . . 0.0 112.334 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -66.69 -43.95 83.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 32' ' ' TRP . 39.3 m -80.53 125.21 29.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.12 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -79.97 115.12 19.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -104.74 135.75 45.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.1 m -153.03 151.7 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.01 146.71 50.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.58 147.96 32.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.829 0.347 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.524 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 34.0 mt -71.35 155.9 92.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.573 0.701 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.72 163.44 81.72 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.377 -0.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.614 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 21.4 m -139.8 126.44 20.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.181 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 77.8 mt -127.24 136.05 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.614 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 62.1 m-85 -130.13 137.77 50.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.467 HG13 HG22 ' A' ' 34' ' ' VAL . 16.6 t -115.01 117.12 54.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.535 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 35.9 m-85 -115.94 128.88 56.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -109.18 -60.87 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -124.31 43.31 3.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.43 25.06 44.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.478 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.535 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 9.7 pt20 -131.13 -177.65 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.0 mt -106.06 83.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.536 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 6.0 mm-40 -54.96 -39.68 69.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -168.18 132.45 2.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.463 ' HG3' ' CD1' ' A' ' 97' ' ' ILE . 0.7 OUTLIER -122.6 149.97 43.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.556 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.6 OUTLIER -138.0 113.87 9.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.463 ' CD1' ' HG3' ' A' ' 95' ' ' LYS . 5.2 mp -121.31 125.92 74.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.81 141.0 8.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.48 HG22 ' HA2' ' A' ' 104' ' ' GLY . 78.8 mt -50.6 -48.12 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 111.163 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.712 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.2 mp -64.45 -51.63 65.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -53.69 -28.83 35.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.9 m -96.01 23.26 6.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.41 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 98.7 -55.91 1.01 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.442 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.519 ' O ' ' HE1' ' A' ' 44' ' ' MET . . . 119.69 166.96 13.47 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.652 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -55.32 -14.48 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 111.142 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.652 ' N ' HD12 ' A' ' 105' ' ' ILE . 10.5 p30 -109.45 23.27 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.508 HD21 ' HB2' ' A' ' 112' ' ' LEU . 9.6 tp -67.28 132.1 47.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -91.36 166.54 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.52 HD12 ' HB3' ' A' ' 51' ' ' HIS . 14.2 tp -66.78 -27.95 68.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -80.91 -44.17 18.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -48.56 -54.74 13.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.508 ' HB2' HD21 ' A' ' 107' ' ' LEU . 49.5 tp -64.88 -41.29 95.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.473 ' O ' HD11 ' A' ' 122' ' ' ILE . 40.2 tt0 -52.47 -20.49 2.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.481 ' O ' ' N ' ' A' ' 117' ' ' SER . 18.1 t90 -88.75 -52.47 5.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.563 ' O ' HG23 ' A' ' 119' ' ' VAL . 23.9 mttp -38.87 -51.88 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.577 HD22 HG11 ' A' ' 34' ' ' VAL . 12.8 mt -65.5 -31.39 72.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.4 t -70.48 -58.33 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -47.09 -24.67 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 115' ' ' LYS . 95.6 t -81.38 -37.15 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.074 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 123.22 1.33 9.41 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.25 -39.85 68.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.768 0.318 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.473 HD11 ' O ' ' A' ' 113' ' ' GLU . 36.3 pt -140.59 179.97 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.526 ' NE2' ' H ' ' A' ' 123' ' ' GLN . 1.7 pm0 -122.94 91.21 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.2 t -85.58 178.27 7.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.4 mttt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.798 0.332 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -99.67 -176.05 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.94 33.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -174.85 143.58 0.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.0 tp -74.06 125.11 27.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -108.42 -176.04 2.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.513 ' HB2' ' HZ1' ' A' ' 66' ' ' LYS . 1.6 tm-20 -137.15 130.12 30.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' ' 20' ' ' TYR . 26.9 pt -125.89 162.08 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.53 168.39 10.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.41 -64.0 4.7 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -45.99 -30.23 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.321 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 20' ' ' TYR . 55.8 mm-40 -80.99 -35.79 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.695 ' CD2' HD13 ' A' ' 35' ' ' ILE . 2.8 t80 -34.26 -45.25 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.1 t -72.67 -59.23 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.168 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -54.96 -14.26 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -105.15 -70.54 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.631 HG22 HG11 ' A' ' 33' ' ' VAL . 61.3 t -65.62 -71.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 83.4 m -40.86 -65.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -84.04 31.99 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -58.87 155.06 13.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.494 ' HB3' HD22 ' A' ' 31' ' ' LEU . 25.6 tt0 -44.35 156.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -66.17 131.44 46.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 57.08 42.72 25.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 28' ' ' GLU . 15.5 tp -115.4 136.62 52.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.584 ' CZ2' ' HE2' ' A' ' 88' ' ' LYS . 87.9 m95 -91.58 104.93 17.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.631 HG11 HG22 ' A' ' 24' ' ' VAL . 76.8 t -106.12 114.47 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.126 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.542 HG11 HD22 ' A' ' 116' ' ' LEU . 59.9 t -113.08 99.76 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.183 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.695 HD13 ' CD2' ' A' ' 20' ' ' TYR . 11.4 tt -92.24 149.76 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.474 ' CE1' ' HB ' ' A' ' 48' ' ' VAL . 7.8 t-80 -140.34 112.73 7.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.4 mt -76.18 88.97 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -83.8 152.97 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.54 ' HG3' HD13 ' A' ' 81' ' ' LEU . 14.1 mmm180 -146.79 141.67 26.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.2 t -66.82 -44.39 81.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.5 m -53.49 -39.72 64.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 t -88.74 125.06 64.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.587 0.708 . . . . 0.0 111.177 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -50.56 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.713 2.275 . . . . 0.0 112.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.93 -57.48 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.1 m -38.11 -58.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.1 mt -38.0 -51.92 1.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.96 -42.79 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.474 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 11.5 t -60.94 -36.33 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.25 -38.57 75.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -57.8 -50.08 74.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -65.89 -40.04 91.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.557 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.4 mt -56.41 -50.62 71.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.8 t -45.3 -43.11 10.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.2 t -78.34 -45.6 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.853 HD21 ' HG2' ' A' ' 113' ' ' GLU . 11.9 mt -60.08 -11.24 5.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.64 -38.88 17.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -81.78 -18.6 43.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 tttt -84.6 -44.4 13.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -115.71 92.11 32.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -26.43 27.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.268 . . . . 0.0 112.357 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -59.94 -52.62 64.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 85.6 m -70.35 125.48 26.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.116 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -87.78 97.15 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -86.66 132.3 33.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.1 m -148.64 147.76 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.513 ' HZ1' ' HB2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -127.99 144.53 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.98 129.85 21.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.084 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 88.0 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.54 HD13 ' HG3' ' A' ' 39' ' ' ARG . 15.2 mt -143.27 153.53 59.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.73 169.47 63.07 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.333 -0.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 m -146.79 138.37 24.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 71.2 mt -133.95 139.27 48.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -132.23 133.83 44.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.403 HG13 HG22 ' A' ' 34' ' ' VAL . 23.7 t -112.77 127.54 69.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -120.48 134.42 55.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.584 ' HE2' ' CZ2' ' A' ' 32' ' ' TRP . 8.7 tppt? -103.92 -59.87 1.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -131.32 22.88 4.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.2 6.34 15.99 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -122.97 154.06 38.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 0.0 110.952 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.4 mt -77.91 93.52 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -67.78 -28.68 67.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.39 139.45 5.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -131.81 149.04 52.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -134.38 99.62 4.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.441 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.9 mp -113.4 118.28 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.4 147.86 7.59 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.421 HG22 ' HA2' ' A' ' 104' ' ' GLY . 22.5 mm -50.79 -54.83 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.694 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.0 mp -65.93 -46.35 88.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 13.3 mt-10 -54.12 -30.48 48.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.65 ' O ' HD22 ' A' ' 107' ' ' LEU . 38.6 t -87.34 -15.29 38.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.558 ' HA3' HD22 ' A' ' 107' ' ' LEU . . . 131.1 -35.51 2.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.421 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 106.86 155.49 20.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.475 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.858 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -52.17 -23.15 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.133 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.858 ' N ' HD12 ' A' ' 105' ' ' ILE . 0.7 OUTLIER -104.1 26.71 8.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.681 HD21 ' HB2' ' A' ' 112' ' ' LEU . 29.2 tp -66.37 126.52 29.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -83.78 154.08 23.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.3 tp -58.14 -35.62 71.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -76.26 -38.1 56.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -56.31 -53.31 58.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.681 ' HB2' HD21 ' A' ' 107' ' ' LEU . 30.1 tp -59.59 -40.41 87.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.853 ' HG2' HD21 ' A' ' 55' ' ' LEU . 36.6 mt-10 -48.59 -31.03 6.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.8 t90 -74.31 -57.03 4.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.404 ' O ' HG23 ' A' ' 119' ' ' VAL . 33.6 mttm -38.72 -51.72 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.542 HD22 HG11 ' A' ' 34' ' ' VAL . 13.0 mt -64.97 -31.22 72.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 120' ' ' GLY . 1.6 t -73.63 -61.57 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -40.81 -26.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 117' ' ' SER . 82.2 t -83.09 -37.91 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 121.62 -1.98 11.15 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.56 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -67.02 -40.24 87.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.744 0.307 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.473 HD11 ' O ' ' A' ' 113' ' ' GLU . 35.6 pt -140.05 -177.31 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -123.64 103.83 8.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 59.8 p -102.87 161.53 13.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.811 0.339 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -111.09 -175.53 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.54 40.84 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.489 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.14 179.59 2.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.9 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.6 tp -111.0 136.27 50.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -130.88 -176.66 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -131.69 141.57 49.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 20' ' ' TYR . 39.5 pt -129.94 163.58 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.2 m -90.93 176.57 6.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.49 -65.35 3.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -48.03 -25.49 1.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.333 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 20' ' ' TYR . 15.3 mm100 -82.11 -38.5 24.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.598 ' CE2' HD13 ' A' ' 35' ' ' ILE . 1.8 t80 -36.13 -39.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.537 HG13 ' CB ' ' A' ' 25' ' ' THR . 64.2 t -77.75 -71.23 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -43.82 -22.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' VAL . 5.3 mm-40 -94.42 -72.01 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.585 HG22 HG11 ' A' ' 33' ' ' VAL . 24.1 t -69.54 -71.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.537 ' CB ' HG13 ' A' ' 21' ' ' VAL . 44.1 m -40.85 -66.26 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -84.82 32.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.521 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -60.17 163.8 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -46.14 171.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 30' ' ' ASP . 19.6 tttp -65.08 136.49 56.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER 34.44 46.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.521 HD23 ' HB1' ' A' ' 27' ' ' ALA . 5.0 tp -109.32 129.0 55.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.551 ' CE3' ' HA ' ' A' ' 121' ' ' ALA . 81.0 m95 -79.96 134.67 36.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.585 HG11 HG22 ' A' ' 24' ' ' VAL . 85.6 t -137.49 113.02 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.148 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.0 t -104.19 108.22 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.598 HD13 ' CE2' ' A' ' 20' ' ' TYR . 20.5 tt -98.58 148.97 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.449 ' CE1' ' HB ' ' A' ' 48' ' ' VAL . 22.6 t-80 -138.55 120.18 15.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mt -92.15 104.66 17.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.578 ' CZ ' HD11 ' A' ' 68' ' ' ILE . 23.0 p90 -91.5 163.39 14.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.473 ' HD3' ' CD1' ' A' ' 81' ' ' LEU . 19.9 mtp180 -152.61 132.21 13.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.5 p -58.1 -30.28 66.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 t -72.15 -33.88 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.407 HG21 HD13 ' A' ' 81' ' ' LEU . 9.4 t -87.88 119.62 70.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 111.141 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -46.85 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.362 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -51.79 -52.08 51.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 44' ' ' MET . 25.6 m -35.31 -56.31 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.9 mt -44.23 -47.83 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 67.9 t -59.04 -49.22 84.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.449 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 48.5 t -54.28 -41.3 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.545 ' HA ' HD12 ' A' ' 52' ' ' LEU . 31.0 m-20 -63.71 -38.56 91.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -54.08 -50.69 66.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.541 ' HB3' HD12 ' A' ' 109' ' ' LEU . 14.6 m-70 -67.52 -48.79 66.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.548 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 49' ' ' ASN . 30.2 mt -42.77 -34.92 1.01 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -65.31 -45.82 82.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.5 t -72.98 -38.03 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.8 mt -69.1 -25.96 64.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.36 -44.27 75.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -79.3 -24.92 42.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -71.84 -39.67 69.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -121.79 87.38 46.4 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.68 0.752 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -18.64 37.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.381 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -71.33 -40.35 70.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.8 m -87.25 134.32 33.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HB3' HG22 ' A' ' 33' ' ' VAL . 10.0 tttt -81.63 143.85 31.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -134.26 129.72 36.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.414 HG23 HG13 ' A' ' 35' ' ' ILE . 27.6 m -147.97 169.25 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -144.65 147.56 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.33 145.1 31.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.578 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 7.9 mm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.451 ' O ' HG23 ' A' ' 97' ' ' ILE . 7.0 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.842 0.353 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.542 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 15.2 mt -95.36 152.33 39.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.79 167.1 72.31 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.292 -0.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.443 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 65.1 m -137.06 127.11 25.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.6 mt -126.83 134.95 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.443 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 61.6 m-85 -128.2 122.98 33.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.2 t -102.0 126.19 56.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 23.6 m-85 -121.89 132.98 54.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.548 ' HG3' ' CZ2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -109.54 -63.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -124.14 39.79 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.06 22.57 32.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.528 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 10.3 pt20 -128.83 -177.69 4.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.77 0.319 . . . . 0.0 110.897 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.421 HG22 ' O ' ' A' ' 92' ' ' ILE . 49.9 mt -106.73 83.45 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.5 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 57.0 mm-40 -51.16 -41.65 60.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.54 136.19 4.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -118.98 145.13 46.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.931 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -132.33 98.47 4.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 80' ' ' CYS . 5.2 mp -114.24 115.18 48.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 124.24 148.68 7.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.417 HG22 ' HA2' ' A' ' 104' ' ' GLY . 13.7 mm -53.75 -57.04 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.639 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.4 mp -64.41 -40.78 90.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 10.8 mt-10 -55.23 -25.52 33.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.485 ' O ' HD22 ' A' ' 107' ' ' LEU . 14.3 t -102.86 26.81 7.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.499 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 90.76 -31.91 5.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.417 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 106.44 170.41 22.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.482 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.589 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -60.17 -11.49 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 111.124 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.589 ' N ' HD12 ' A' ' 105' ' ' ILE . 7.3 p30 -105.8 14.48 28.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.499 HD13 ' HA3' ' A' ' 103' ' ' GLY . 18.7 tp -56.12 112.72 1.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -75.12 168.24 20.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.541 HD12 ' HB3' ' A' ' 51' ' ' HIS . 12.9 tp -66.73 -30.66 70.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -80.73 -47.14 14.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -49.02 -47.42 44.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.505 HD23 ' HB2' ' A' ' 51' ' ' HIS . 48.9 tp -62.49 -37.15 84.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.452 ' O ' HD11 ' A' ' 122' ' ' ILE . 27.2 tt0 -53.91 -39.87 66.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.489 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.7 t90 -68.91 -54.03 17.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -38.92 -49.58 1.68 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.8 mt -68.9 -30.76 69.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 120' ' ' GLY . 1.4 t -72.11 -60.55 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -41.96 -25.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 117' ' ' SER . 83.3 t -83.35 -36.39 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 121.94 -2.09 10.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.451 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.551 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -66.04 -37.56 86.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.319 . . . . 0.0 111.103 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.452 HD11 ' O ' ' A' ' 113' ' ' GLU . 35.2 pt -145.61 179.04 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -119.59 100.9 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.0 p -95.71 157.15 16.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.6 mttt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.818 0.342 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -105.88 -179.66 4.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.11 39.22 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -174.52 170.86 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.431 HD21 ' HD3' ' A' ' 66' ' ' LYS . 46.6 tp -104.84 123.03 46.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -113.85 -178.61 3.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -132.22 130.23 40.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 20' ' ' TYR . 25.5 pt -120.96 164.02 17.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 m -88.13 178.7 6.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.75 -68.24 1.73 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -46.16 -25.99 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.754 0.312 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -80.7 -35.67 33.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.746 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.2 t80 -38.1 -47.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.517 HG13 ' CB ' ' A' ' 25' ' ' THR . 73.7 t -70.16 -66.55 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -44.7 -21.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.533 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 60.2 mm-40 -99.54 -74.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.523 HG22 HG11 ' A' ' 33' ' ' VAL . 31.1 t -57.85 -55.33 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.517 ' CB ' HG13 ' A' ' 21' ' ' VAL . 33.0 m -62.32 -65.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -83.39 34.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -60.32 174.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.597 ' HB2' HD22 ' A' ' 31' ' ' LEU . 3.8 mm-40 -53.05 -174.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 30' ' ' ASP . 11.9 tttm -73.43 131.65 42.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 29' ' ' LYS . 2.6 p30 35.5 39.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.597 HD22 ' HB2' ' A' ' 28' ' ' GLU . 5.9 tp -93.89 140.41 29.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.575 ' CZ2' ' HG3' ' A' ' 88' ' ' LYS . 81.0 m95 -93.74 119.69 33.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.523 HG11 HG22 ' A' ' 24' ' ' VAL . 61.0 t -119.96 111.62 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.52 HG11 HD22 ' A' ' 116' ' ' LEU . 84.9 t -103.47 105.68 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.746 HD13 ' CD2' ' A' ' 20' ' ' TYR . 12.2 tt -99.61 157.07 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.559 ' CE1' ' HB ' ' A' ' 48' ' ' VAL . 3.7 t-80 -148.01 118.77 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mt -85.19 95.39 9.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.605 ' OH ' HD11 ' A' ' 68' ' ' ILE . 15.4 p90 -83.93 156.67 22.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.552 ' HG3' HD13 ' A' ' 81' ' ' LEU . 5.6 mmm180 -148.52 124.19 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -53.15 -35.1 59.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.2 m -66.13 -31.36 72.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 t -95.4 123.26 57.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.61 0.719 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -45.74 1.49 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.592 ' CG ' HG23 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -47.76 -48.31 30.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 73.9 m -50.05 -54.6 19.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.0 mt -41.13 -49.36 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.6 t -64.06 -40.36 88.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 39.2 t -58.3 -38.17 67.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -69.45 -37.43 77.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -56.3 -42.63 77.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.568 ' HB2' HD23 ' A' ' 112' ' ' LEU . 34.8 m-70 -76.34 -49.99 15.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.603 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.3 mt -42.25 -34.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -67.3 -48.72 66.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.8 t -68.53 -38.79 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.496 HD13 ' CD1' ' A' ' 116' ' ' LEU . 17.0 mt -67.68 -24.44 65.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.76 -47.37 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -74.26 -27.73 60.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -70.73 -47.83 57.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -116.26 86.56 17.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.655 0.741 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -19.12 36.4 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.344 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -68.3 -43.74 77.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.7 m -84.4 128.46 34.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -72.33 141.85 48.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -133.12 119.58 20.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.7 m -139.2 157.27 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.431 ' HD3' HD21 ' A' ' 12' ' ' LEU . 22.3 pttt -135.25 142.01 45.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.78 133.05 28.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.605 HD11 ' OH ' ' A' ' 38' ' ' TYR . 75.0 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.637 ' O ' HG23 ' A' ' 97' ' ' ILE . 3.0 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.817 0.341 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.552 HD13 ' HG3' ' A' ' 39' ' ' ARG . 14.7 mt -83.34 152.44 64.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.562 0.696 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.74 174.03 42.15 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.389 -0.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.486 HG21 ' CE2' ' A' ' 85' ' ' PHE . 54.2 m -146.35 130.61 17.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.9 mt -131.23 111.04 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.486 ' CE2' HG21 ' A' ' 83' ' ' THR . 45.4 m-85 -108.17 127.51 53.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 46.0 t -107.01 128.1 62.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.457 ' CZ ' HG12 ' A' ' 92' ' ' ILE . 43.6 m-85 -124.61 134.04 53.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.575 ' HG3' ' CZ2' ' A' ' 32' ' ' TRP . 0.8 OUTLIER -114.99 -58.89 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -124.5 36.36 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 92.71 7.94 62.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -120.71 153.37 37.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.923 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.457 HG12 ' CZ ' ' A' ' 87' ' ' TYR . 72.7 mt -79.86 91.27 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.529 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 36.7 mm-40 -57.14 -38.17 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -168.06 133.97 3.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -116.36 142.99 46.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.45 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 3.9 m-85 -129.56 87.93 2.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 80' ' ' CYS . 5.3 mp -105.16 118.94 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 113.12 128.45 4.88 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.592 HG23 ' CG ' ' A' ' 44' ' ' MET . 65.1 mt -35.55 -50.14 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.768 0.318 . . . . 0.0 111.145 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.4 mt -64.42 -52.0 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 97' ' ' ILE . 29.5 mt-10 -51.96 -36.87 50.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.679 ' O ' HD22 ' A' ' 107' ' ' LEU . 2.0 m -85.67 25.56 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.618 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 98.34 -51.04 1.27 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.535 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.48 ' O ' ' HE2' ' A' ' 44' ' ' MET . . . 126.36 163.72 11.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.822 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -56.12 -22.47 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 111.133 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.822 ' N ' HD12 ' A' ' 105' ' ' ILE . 14.1 p30 -97.78 19.05 14.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.679 HD22 ' O ' ' A' ' 102' ' ' CYS . 60.2 tp -58.18 111.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -77.65 162.75 26.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.498 ' CD1' ' ND1' ' A' ' 51' ' ' HIS . 23.4 tp -58.14 -35.21 71.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -77.86 -50.89 11.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -44.79 -53.97 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.606 HD13 HD21 ' A' ' 107' ' ' LEU . 47.5 tp -57.9 -38.81 76.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.579 ' O ' HD11 ' A' ' 122' ' ' ILE . 3.1 tm-20 -53.53 -36.55 61.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.481 ' O ' ' N ' ' A' ' 117' ' ' SER . 16.6 t90 -73.16 -51.3 18.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.478 ' O ' HG23 ' A' ' 119' ' ' VAL . 15.6 mtpp -39.43 -48.73 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.52 HD22 HG11 ' A' ' 34' ' ' VAL . 16.8 mt -69.63 -30.59 68.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.4 t -71.5 -58.97 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.405 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . 3.2 pt-20 -43.94 -22.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 115' ' ' LYS . 95.9 t -83.88 -38.48 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 124.81 -1.36 8.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.56 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -68.97 -41.45 77.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.738 0.304 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.579 HD11 ' O ' ' A' ' 113' ' ' GLU . 32.2 pt -138.25 -177.2 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -120.66 102.63 8.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.975 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.6 p -86.09 166.11 16.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -100.36 -178.31 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.39 41.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -173.52 155.8 2.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.2 tp -83.28 117.82 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -103.85 -178.7 3.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -140.6 134.29 30.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.617 HD12 ' HA ' ' A' ' 20' ' ' TYR . 26.4 pt -124.6 175.6 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.0 p -105.15 178.48 4.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.13 -60.01 9.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -56.12 -28.2 56.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -78.48 -35.72 46.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.617 ' HA ' HD12 ' A' ' 15' ' ' ILE . 1.4 t80 -40.49 -45.21 2.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.413 ' C ' ' N ' ' A' ' 23' ' ' GLU . 90.5 t -71.6 -72.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -44.0 -22.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.453 ' O ' ' CA ' ' A' ' 27' ' ' ALA . 5.6 mm-40 -94.9 -73.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.408 HG22 HG11 ' A' ' 33' ' ' VAL . 22.7 t -61.77 -63.02 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.1 m -49.86 -60.1 3.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -87.2 25.51 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.453 ' CA ' ' O ' ' A' ' 23' ' ' GLU . . . -55.27 161.92 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.073 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -48.9 160.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' ASP . 11.9 tppt? -62.44 145.82 53.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' LYS . 3.3 p30 35.38 49.16 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.425 HD23 ' HB1' ' A' ' 27' ' ' ALA . 14.9 tp -113.39 136.27 52.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.558 ' CZ2' ' HE3' ' A' ' 88' ' ' LYS . 95.6 m95 -90.62 103.94 16.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.538 HG22 ' HB3' ' A' ' 63' ' ' LYS . 87.9 t -106.66 106.37 20.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.532 HG11 HD22 ' A' ' 116' ' ' LEU . 59.3 t -102.34 107.49 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.605 HD13 ' CE2' ' A' ' 20' ' ' TYR . 16.1 tt -99.7 165.47 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.412 ' N ' ' CG1' ' A' ' 35' ' ' ILE . 7.1 t-80 -155.6 111.44 3.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 67' ' ' ALA . 8.5 mt -77.33 83.65 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.48 ' OH ' HD11 ' A' ' 68' ' ' ILE . 17.1 p90 -72.41 156.12 39.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -149.49 121.67 8.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 p -53.28 -24.49 11.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -74.28 -32.27 62.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.1 t -87.67 119.79 70.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.646 0.736 . . . . 0.0 111.083 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -26.79 27.05 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.619 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -67.6 -56.82 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' MET . 9.8 p -37.03 -34.51 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.4 mt -47.85 -62.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 44' ' ' MET . 6.0 p -60.01 -33.55 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.525 HG23 ' SD ' ' A' ' 44' ' ' MET . 98.8 t -64.04 -37.77 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -74.12 -39.69 63.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -58.31 -49.68 76.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.516 ' CE1' ' HB2' ' A' ' 109' ' ' LEU . 6.9 m-70 -63.7 -42.59 97.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.58 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 39.8 mt -60.59 -20.64 61.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 t -72.51 -44.58 62.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 p -82.87 -31.26 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.3 mt -69.55 -19.31 63.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.86 -43.68 62.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -79.82 -21.04 44.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 tttp -76.32 -46.33 28.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.425 ' CZ ' HD12 ' A' ' 122' ' ' ILE . 43.6 m-85 -115.56 89.31 22.13 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.681 0.753 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -17.54 37.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -70.62 -40.4 73.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.474 ' HB ' ' CZ ' ' A' ' 64' ' ' PHE . 53.6 m -80.82 126.04 30.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HB3' HG22 ' A' ' 33' ' ' VAL . 24.8 tttt -85.78 102.66 13.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.474 ' CZ ' ' HB ' ' A' ' 62' ' ' THR . 56.6 m-85 -94.0 143.16 26.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.0 m -153.82 137.61 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -111.2 117.57 33.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.525 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -132.97 128.94 37.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.082 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.48 HD11 ' OH ' ' A' ' 38' ' ' TYR . 24.9 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.853 0.359 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.545 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 11.6 mt -82.61 153.07 67.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.8 176.11 34.02 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.379 -0.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.409 ' CG2' ' CZ ' ' A' ' 85' ' ' PHE . 70.8 m -149.33 136.2 19.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.169 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.414 HG23 ' O ' ' A' ' 35' ' ' ILE . 66.6 mt -136.1 135.46 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.409 ' CZ ' ' CG2' ' A' ' 83' ' ' THR . 48.7 m-85 -131.03 132.66 45.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 94' ' ' GLY . 13.2 t -111.92 125.87 69.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -119.21 130.05 55.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.558 ' HE3' ' CZ2' ' A' ' 32' ' ' TRP . 2.8 tppp? -101.35 -58.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -128.9 25.6 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 107.22 14.34 18.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -129.93 155.67 45.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.45 HG21 ' CE ' ' A' ' 95' ' ' LYS . 4.2 mm -76.48 94.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -75.38 -30.22 60.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.546 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -166.85 123.11 1.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.589 ' C ' ' CD1' ' A' ' 96' ' ' PHE . 18.6 ptpt -123.29 161.64 24.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -146.53 112.98 5.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.497 HD11 ' HD3' ' A' ' 95' ' ' LYS . 5.3 mp -119.33 126.25 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.35 139.57 9.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.678 HG22 ' HA2' ' A' ' 104' ' ' GLY . 66.6 mt -50.64 -47.58 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.827 0.346 . . . . 0.0 111.084 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.1 mt -64.15 -48.42 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 97' ' ' ILE . 28.2 mt-10 -56.59 -27.77 58.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 37.8 t -96.57 22.22 8.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.627 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 100.04 -52.15 1.02 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.678 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 122.3 171.86 13.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.748 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.5 pp -60.58 -13.68 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 111.128 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.748 ' N ' HD12 ' A' ' 105' ' ' ILE . 30.3 m-20 -102.62 0.65 33.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.649 HD21 ' HB2' ' A' ' 112' ' ' LEU . 12.1 tp -45.67 120.01 2.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -81.72 169.06 17.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 9.4 tp -68.69 -28.73 67.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -84.27 -39.72 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -52.71 -52.69 55.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.649 ' HB2' HD21 ' A' ' 107' ' ' LEU . 47.1 tp -63.63 -38.6 91.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.612 ' O ' HD11 ' A' ' 122' ' ' ILE . 30.8 tt0 -52.61 -23.46 6.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.48 ' O ' ' N ' ' A' ' 117' ' ' SER . 20.4 t90 -83.33 -52.88 6.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -39.86 -50.22 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.532 HD22 HG11 ' A' ' 34' ' ' VAL . 7.9 mt -65.59 -30.72 71.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.5 t -72.55 -57.5 4.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -48.93 -20.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 39.1 t -88.89 -36.38 8.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.537 ' O ' ' CE2' ' A' ' 32' ' ' TRP . . . 124.85 -6.16 8.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.522 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -61.14 -42.34 98.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.612 HD11 ' O ' ' A' ' 113' ' ' GLU . 33.6 pt -141.2 179.45 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -117.15 100.47 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.2 p -110.07 149.58 29.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -121.25 -69.38 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.35 41.61 25.3 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -175.1 146.34 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.932 0.396 . . . . 0.0 110.835 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.9 tp -80.41 132.26 35.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -125.52 173.61 8.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -127.04 144.55 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 20' ' ' TYR . 18.9 pt -133.46 174.91 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.6 m -109.6 -178.36 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.44 -47.2 86.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -62.37 -29.97 70.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' TYR . 62.5 mt-30 -82.15 -33.99 29.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.504 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 2.5 t80 -37.93 -50.72 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.15 -68.98 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.183 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -45.72 -21.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 74.4 mm-40 -98.52 -75.39 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.412 HG22 HG11 ' A' ' 33' ' ' VAL . 78.6 t -58.98 -59.58 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.7 m -56.39 -65.83 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -82.41 36.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.646 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -65.65 147.93 52.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.558 ' OE1' HD13 ' A' ' 31' ' ' LEU . 47.3 tt0 -34.56 149.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 4.1 tppp? -55.67 137.43 49.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 46.13 47.87 12.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.646 HD23 ' HB1' ' A' ' 27' ' ' ALA . 11.5 tp -114.86 134.93 54.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.554 ' CZ3' ' HG3' ' A' ' 93' ' ' GLU . 86.0 m95 -89.92 105.19 17.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.499 HG21 ' CB ' ' A' ' 27' ' ' ALA . 78.5 t -104.22 128.32 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.165 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.497 HG11 HD22 ' A' ' 116' ' ' LEU . 92.8 t -123.34 104.98 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.418 HD13 ' CD2' ' A' ' 20' ' ' TYR . 6.6 tt -103.9 138.23 29.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -126.63 104.61 8.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.5 mt -70.18 97.5 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -91.7 164.18 13.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.611 ' HB3' HG23 ' A' ' 42' ' ' VAL . 7.5 ttt180 -151.47 118.51 5.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.3 t -46.29 -26.91 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -85.03 22.11 1.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.611 HG23 ' HB3' ' A' ' 39' ' ' ARG . 24.9 t -141.4 120.38 8.09 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.644 0.735 . . . . 0.0 111.074 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -49.6 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.659 2.239 . . . . 0.0 112.356 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.482 ' SD ' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -42.68 -44.74 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.8 m -55.9 -43.14 76.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.3 mt -41.77 -58.8 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 44' ' ' MET . 2.7 p -64.31 -41.03 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.482 HG23 ' SD ' ' A' ' 44' ' ' MET . 71.3 t -55.2 -40.16 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.417 ' HA ' HD12 ' A' ' 52' ' ' LEU . 7.2 t-20 -65.85 -45.96 80.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -47.73 -40.14 19.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.466 ' CB ' HD23 ' A' ' 112' ' ' LEU . 7.1 m-70 -72.07 -44.18 63.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.6 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 49' ' ' ASN . 69.1 mt -57.7 -33.52 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 t -59.93 -57.0 14.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.433 ' CG1' HD11 ' A' ' 109' ' ' LEU . 8.6 p -74.0 -27.2 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.1 mt -70.16 -19.37 63.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.428 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -75.54 -44.52 43.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -79.03 -35.27 42.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -62.59 -45.64 91.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.431 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 31.4 m-85 -117.87 90.54 36.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.681 0.753 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -37.37 9.36 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.682 2.255 . . . . 0.0 112.397 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -55.53 -50.65 69.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 32' ' ' TRP . 98.3 m -75.08 125.46 28.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.073 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.7 tttm -71.06 142.78 50.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.428 ' CD2' ' HA ' ' A' ' 56' ' ' ALA . 83.0 m-85 -132.95 117.9 18.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.29 147.33 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.91 142.56 49.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.23 173.15 15.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.095 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.5 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 86.2 m . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.553 HD13 HG21 ' A' ' 42' ' ' VAL . 14.6 mt -137.34 152.88 74.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.75 -178.8 17.51 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.387 -0.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.544 HG22 ' CE2' ' A' ' 85' ' ' PHE . 7.6 m -146.45 138.69 25.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 69.9 mt -144.51 143.54 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.544 ' CE2' HG22 ' A' ' 83' ' ' THR . 76.9 m-85 -144.53 133.33 22.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.2 t -109.09 131.91 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 24.1 m-85 -125.76 132.63 52.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -112.67 -59.76 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -125.7 42.28 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.74 24.68 37.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.56 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 12.5 pt20 -130.77 -174.69 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.1 mt -109.57 84.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.554 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 41.4 mm-40 -53.59 -36.74 62.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.74 139.43 5.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 20.6 pttp -129.33 147.45 51.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.313 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.7 OUTLIER -138.54 108.18 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.417 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 4.2 mp -123.21 118.85 55.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 116.76 125.39 3.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.534 HG22 ' HA2' ' A' ' 104' ' ' GLY . 91.4 mt -34.16 -56.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 111.11 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.2 mt -58.78 -54.76 29.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.417 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 10.9 mt-10 -46.58 -33.97 4.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.427 ' HB3' ' HE3' ' A' ' 44' ' ' MET . 7.4 m -92.21 28.18 1.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.63 -37.38 3.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.534 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 109.48 171.56 20.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.501 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.9 pp -58.34 -15.75 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 111.112 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.501 ' N ' HD12 ' A' ' 105' ' ' ILE . 25.6 m120 -90.03 -13.51 35.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 112' ' ' LEU . 6.9 tp -38.04 136.99 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.53 161.96 14.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.433 HD11 ' CG1' ' A' ' 54' ' ' VAL . 24.0 tp -53.88 -40.04 66.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.81 -46.67 62.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -48.06 -58.86 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.6 ' HB2' HD21 ' A' ' 107' ' ' LEU . 52.9 tp -56.02 -43.14 77.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.577 ' O ' HD11 ' A' ' 122' ' ' ILE . 10.2 tt0 -48.34 -35.96 13.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.7 t90 -70.86 -55.98 7.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.659 ' O ' HG23 ' A' ' 119' ' ' VAL . 32.4 mttp -39.47 -47.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.497 HD22 HG11 ' A' ' 34' ' ' VAL . 13.8 mt -69.46 -31.17 69.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 114' ' ' TRP . 4.2 t -73.91 -60.61 2.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -42.78 -34.45 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 115' ' ' LYS . 99.0 t -72.79 -35.13 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 32' ' ' TRP . . . 118.24 3.08 15.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.512 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -71.12 -51.3 25.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 111.059 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.577 HD11 ' O ' ' A' ' 113' ' ' GLU . 20.7 pt -128.12 -175.77 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -122.44 95.97 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.5 t -95.97 150.55 20.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.846 0.355 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -103.49 -176.27 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.36 36.95 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.467 ' CG ' ' CZ ' ' A' ' 13' ' ' ARG . 7.2 pt-20 -168.58 162.06 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.8 tp -87.45 125.21 34.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.467 ' CZ ' ' CG ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -107.59 176.43 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -130.59 138.81 50.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' ' 20' ' ' TYR . 46.0 pt -135.68 169.3 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.0 m -106.12 178.33 4.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.96 -48.67 84.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -62.39 -30.12 70.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' TYR . 56.5 mt-30 -80.83 -36.13 31.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.649 ' HA ' HD12 ' A' ' 15' ' ' ILE . 2.4 t80 -35.92 -49.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.595 HG13 ' CB ' ' A' ' 25' ' ' THR . 98.7 t -69.19 -71.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -41.97 -23.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.715 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 7.0 mm-40 -96.2 -75.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.457 HG12 ' CG ' ' A' ' 87' ' ' TYR . 45.2 t -61.88 -52.83 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.595 ' CB ' HG13 ' A' ' 21' ' ' VAL . 87.6 m -63.89 -70.39 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -82.49 36.43 0.48 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -61.18 176.19 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -57.37 169.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 30' ' ' ASP . 44.1 tttm -65.29 135.22 55.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' LYS . 5.1 p-10 36.39 47.59 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 tp -112.35 135.83 52.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.575 ' CZ2' ' HG3' ' A' ' 88' ' ' LYS . 68.7 m95 -87.02 128.27 35.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.451 HG11 HG22 ' A' ' 24' ' ' VAL . 98.6 t -128.95 106.09 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.522 HG11 HD22 ' A' ' 116' ' ' LEU . 95.7 t -98.3 104.41 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.167 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.549 HD13 ' CD2' ' A' ' 20' ' ' TYR . 14.2 tt -99.95 153.73 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 38' ' ' TYR . 7.9 t-80 -138.05 116.81 12.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.818 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.3 mt -80.35 86.7 5.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.571 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 26.9 p90 -82.03 160.03 23.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.624 ' HB3' HG23 ' A' ' 42' ' ' VAL . 17.8 ttt180 -147.31 121.28 9.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.5 p -51.08 -25.87 5.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 m -87.59 20.41 2.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.82 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.624 HG23 ' HB3' ' A' ' 39' ' ' ARG . 45.2 t -136.81 122.38 13.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.742 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -42.88 2.99 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.49 ' SD ' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -54.86 -45.51 74.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 84.3 m -51.47 -36.65 45.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.8 mt -51.95 -66.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 44' ' ' MET . 2.1 p -52.7 -39.64 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.545 HG11 ' CD2' ' A' ' 36' ' ' HIS . 58.8 t -55.69 -46.67 79.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.99 -42.89 95.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -52.0 -44.2 64.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -68.93 -42.46 76.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.634 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.07 -27.35 65.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.8 t -65.8 -52.49 50.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.5 p -76.26 -32.21 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.1 mt -66.55 -17.81 65.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.484 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . . . -80.71 -38.34 29.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.38 -17.45 28.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -81.31 -39.51 25.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -120.61 89.48 44.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.728 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -20.1 35.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -68.93 -37.45 78.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 87.9 m -90.61 137.41 32.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.164 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HB3' HG22 ' A' ' 33' ' ' VAL . 26.5 tttm -93.61 114.1 26.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 65.6 m-85 -100.56 135.5 41.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.77 137.0 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -112.02 127.88 56.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.41 129.54 16.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.6 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 34.3 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.865 0.364 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.547 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 6.7 mt -81.26 151.01 68.95 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.641 0.734 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.0 Cg_endo -69.7 169.83 61.2 Favored 'Cis proline' 0 C--O 1.231 0.175 0 C-N-CA 122.734 -1.778 . . . . 0.0 112.363 -0.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.44 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 87.6 m -148.02 140.28 24.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 35' ' ' ILE . 73.7 mt -137.63 148.61 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.44 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 65.5 m-85 -145.15 123.52 12.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.0 t -101.01 135.44 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.457 ' CG ' HG12 ' A' ' 24' ' ' VAL . 22.9 m-85 -125.82 136.21 52.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.575 ' HG3' ' CZ2' ' A' ' 32' ' ' TRP . 1.3 tmtt? -121.66 -62.23 1.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -116.21 41.7 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.55 18.48 68.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -127.8 -175.05 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.4 mt -105.22 94.65 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.481 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 44.7 mm-40 -61.54 -39.13 89.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.1 142.56 7.82 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.434 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -128.3 146.06 50.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 3.4 m-85 -133.81 103.19 5.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.8 mp -114.78 123.18 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.29 135.96 6.91 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.758 HG22 ' HA2' ' A' ' 104' ' ' GLY . 89.6 mt -48.18 -41.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 111.149 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.6 mt -69.94 -46.91 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.82 -32.74 70.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 10.9 m -82.67 -7.74 59.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.68 -37.0 2.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.508 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.758 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 115.21 163.67 14.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.661 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -59.35 -16.19 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.334 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.661 ' N ' HD12 ' A' ' 105' ' ' ILE . 7.8 p30 -102.5 10.62 38.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.635 HD12 ' HB2' ' A' ' 111' ' ' GLU . 6.3 tp -51.43 134.8 28.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.12 141.32 34.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.6 tp -40.58 -33.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -70.97 -47.41 59.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.635 ' HB2' HD12 ' A' ' 107' ' ' LEU . 20.8 mm-40 -49.62 -55.45 13.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.494 ' HB2' HD21 ' A' ' 107' ' ' LEU . 28.4 tp -59.82 -44.38 94.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.442 ' O ' HD11 ' A' ' 122' ' ' ILE . 32.1 tt0 -47.3 -30.5 3.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.473 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.0 t90 -81.04 -52.79 7.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.518 ' O ' HG23 ' A' ' 119' ' ' VAL . 23.0 mttm -40.06 -49.92 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.522 HD22 HG11 ' A' ' 34' ' ' VAL . 14.5 mt -67.16 -30.11 70.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.4 t -74.08 -62.89 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -40.71 -25.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 115' ' ' LYS . 79.8 t -80.12 -39.76 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 125.92 0.37 7.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.546 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -70.59 -39.58 73.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.31 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.442 HD11 ' O ' ' A' ' 113' ' ' GLU . 36.9 pt -140.81 -175.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.46 ' O ' ' CD ' ' A' ' 123' ' ' GLN . 2.4 pp0? -129.04 88.64 2.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.5 p -72.27 -176.2 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.784 0.326 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -102.62 -175.34 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.27 39.85 0.13 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -174.82 173.5 2.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.4 tp -99.41 127.43 45.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -118.57 169.12 10.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -121.02 150.24 41.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 16.2 pt -137.48 172.13 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -100.19 179.01 4.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -60.27 -74.82 0.32 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.54 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -39.16 -34.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.309 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 20' ' ' TYR . 28.4 mm100 -72.95 -40.26 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.572 ' CE2' HD13 ' A' ' 35' ' ' ILE . 2.2 t80 -34.15 -50.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.454 HG13 ' CB ' ' A' ' 25' ' ' THR . 88.8 t -68.97 -67.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -43.86 -22.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.613 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 9.5 mm-40 -101.81 -74.63 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.551 HG12 ' CG ' ' A' ' 87' ' ' TYR . 22.9 t -56.1 -54.07 31.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.454 ' CB ' HG13 ' A' ' 21' ' ' VAL . 51.0 m -65.15 -67.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -82.3 35.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -62.8 161.61 12.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.072 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.641 ' HB3' HD22 ' A' ' 31' ' ' LEU . 4.1 tp10 -50.53 157.31 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 14.4 ttmm -61.15 149.76 36.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER 36.74 44.83 0.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.641 HD22 ' HB3' ' A' ' 28' ' ' GLU . 6.3 tp -123.14 131.99 53.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.518 ' CD2' ' HA ' ' A' ' 121' ' ' ALA . 79.3 m95 -91.93 128.26 37.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.7 t -119.74 94.86 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.9 t -85.96 102.27 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.594 ' O ' HG23 ' A' ' 84' ' ' ILE . 14.8 tt -99.84 147.35 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.135 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -126.77 118.94 25.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.775 HD23 ' O ' ' A' ' 67' ' ' ALA . 8.3 mt -96.78 119.06 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -117.35 145.93 43.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' SER . 28.0 ttt180 -110.17 23.79 13.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t 39.62 25.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 39' ' ' ARG . 4.0 m -127.49 -23.09 3.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.522 HG21 ' HB2' ' A' ' 81' ' ' LEU . 62.2 t -103.09 133.35 20.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.635 0.731 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.451 ' HD2' HG13 ' A' ' 42' ' ' VAL . 54.0 Cg_endo -69.78 -41.34 4.33 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.598 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -48.12 -47.65 34.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 84.2 m -55.53 -50.86 68.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.9 mt -44.34 -52.4 7.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 82.2 t -61.47 -44.25 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 44' ' ' MET . 87.5 t -50.34 -42.91 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.664 ' HA ' HD12 ' A' ' 52' ' ' LEU . 28.2 t-20 -64.92 -39.88 94.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -50.09 -51.62 41.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' LEU . 14.2 m-70 -65.46 -50.55 64.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.622 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 49' ' ' ASN . 18.8 mt -36.91 -36.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.954 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -66.23 -51.57 56.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.73 -36.4 77.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 116' ' ' LEU . 14.8 mt -74.96 -27.81 60.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.563 ' HA ' ' CE1' ' A' ' 64' ' ' PHE . . . -64.38 -44.18 92.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 ptm85 -77.31 -37.64 52.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -64.53 -48.17 76.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.463 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 54.4 m-85 -108.9 93.96 13.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.673 0.749 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.77 -33.82 15.78 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.268 . . . . 0.0 112.355 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -55.87 -51.09 68.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 98.6 m -68.53 132.12 46.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -98.07 99.13 10.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.563 ' CE1' ' HA ' ' A' ' 56' ' ' ALA . 22.0 m-85 -87.66 130.96 34.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.4 m -140.19 142.16 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -104.68 139.05 40.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.775 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -164.53 133.64 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.2 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.48 ' O ' HG23 ' A' ' 97' ' ' ILE . 87.1 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.895 0.379 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.555 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 3.2 mt -60.52 142.64 90.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.727 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.75 165.42 76.64 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.684 -1.799 . . . . 0.0 112.356 -0.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.7 m -140.11 125.97 19.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 35' ' ' ILE . 35.5 mt -138.19 139.5 41.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -134.06 129.38 35.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.9 t -100.29 120.95 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CE1' ' CD1' ' A' ' 92' ' ' ILE . 10.3 m-85 -108.97 127.72 54.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.515 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 37.6 tptt -112.23 -54.81 2.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -129.2 42.14 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.71 26.45 50.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -142.25 173.67 11.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.769 0.318 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.582 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 45.5 mm -90.76 99.27 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 77.6 mm-40 -78.15 -34.12 49.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.11 126.69 1.71 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -115.54 140.5 49.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -130.89 86.99 2.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.48 HG23 ' O ' ' A' ' 80' ' ' CYS . 4.9 mp -106.23 117.19 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.14 129.79 5.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.556 HG22 ' HA2' ' A' ' 104' ' ' GLY . 82.4 mt -37.56 -48.98 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 0.0 111.12 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.0 mt -59.6 -55.63 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -49.48 -36.97 24.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.418 ' C ' ' HE3' ' A' ' 115' ' ' LYS . 1.8 m -74.76 -22.36 58.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.53 -35.32 2.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.526 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.556 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 115.81 151.97 9.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.533 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.695 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.3 pp -42.34 -27.76 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.351 . . . . 0.0 111.121 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.695 ' N ' HD12 ' A' ' 105' ' ' ILE . 20.5 m120 -85.33 22.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 104' ' ' GLY . 42.2 tp -55.79 108.44 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -82.06 144.9 30.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.1 tp -41.58 -39.0 1.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -80.93 -43.08 20.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -43.79 -54.35 5.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.414 ' HB2' HD21 ' A' ' 107' ' ' LEU . 47.8 tp -63.42 -42.77 98.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.55 ' O ' HD11 ' A' ' 122' ' ' ILE . 36.8 tt0 -45.84 -41.55 11.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.49 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.9 t90 -65.48 -55.91 15.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.418 ' HE3' ' C ' ' A' ' 102' ' ' CYS . 14.3 mttm -38.46 -52.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.402 ' CD1' HD13 ' A' ' 55' ' ' LEU . 10.9 mt -64.11 -31.89 73.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 114' ' ' TRP . 7.4 t -71.62 -61.27 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -41.36 -32.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.5 t -74.4 -39.17 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 123.85 3.08 8.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.518 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -71.52 -45.51 62.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.55 HD11 ' O ' ' A' ' 113' ' ' GLU . 26.9 pt -135.54 -179.95 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -125.49 97.96 5.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.0 p -97.96 157.11 16.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.902 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.573 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 7.6 ptpp? . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.573 ' CD1' ' HG3' ' A' ' 8' ' ' LYS . 4.4 m-85 -107.26 -71.38 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.12 51.23 24.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -175.12 131.73 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.412 HD21 ' HD3' ' A' ' 66' ' ' LYS . 55.4 tp -68.52 117.35 10.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -109.87 168.79 9.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -125.13 129.59 50.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 20' ' ' TYR . 22.5 pt -116.65 170.23 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 t -107.65 177.06 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -52.35 -77.11 0.15 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -39.13 -35.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 20' ' ' TYR . 40.8 mt-30 -73.33 -39.16 65.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.614 ' HA ' HD12 ' A' ' 15' ' ' ILE . 1.7 t80 -34.2 -51.36 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.545 HG13 ' CB ' ' A' ' 25' ' ' THR . 94.0 t -70.39 -67.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -43.7 -22.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 5.8 mm-40 -99.99 -75.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.6 t -57.79 -57.51 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.545 ' CB ' HG13 ' A' ' 21' ' ' VAL . 37.8 m -59.94 -67.32 0.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -81.13 37.6 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.507 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -66.34 156.78 33.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.603 ' HB3' HD22 ' A' ' 31' ' ' LEU . 35.2 tp10 -46.15 157.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 18.2 tptp -59.7 138.06 57.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 44.04 38.84 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 28' ' ' GLU . 9.5 tp -110.12 115.85 30.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.611 ' HZ3' HG12 ' A' ' 119' ' ' VAL . 61.9 m95 -73.0 125.31 27.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.408 HG22 ' HB3' ' A' ' 63' ' ' LYS . 98.9 t -123.81 107.52 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.449 HG22 HG22 ' A' ' 86' ' ' VAL . 92.4 t -98.68 105.07 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.429 HD13 ' CD2' ' A' ' 20' ' ' TYR . 6.4 tt -101.21 144.41 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -130.7 94.37 3.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.406 HD12 ' CG2' ' A' ' 83' ' ' THR . 10.1 mt -60.66 103.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -99.63 129.21 45.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -99.32 15.16 27.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m 39.97 25.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 39' ' ' ARG . 38.3 m -132.3 -29.26 1.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.4 ' CG1' ' HD2' ' A' ' 43' ' ' PRO . 2.1 t -79.34 134.22 59.03 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.649 0.737 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.509 ' HA ' HD12 ' A' ' 46' ' ' LEU . 53.1 Cg_endo -69.81 -19.99 35.18 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.25 . . . . 0.0 112.303 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -57.21 3.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.9 p -44.34 -40.53 5.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 43' ' ' PRO . 65.9 mt -51.67 -46.22 63.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.966 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.5 t -69.16 -41.48 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.119 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 45.2 t -56.45 -45.61 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.88 -44.7 82.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -48.8 -46.05 41.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.487 ' O ' HG12 ' A' ' 54' ' ' VAL . 12.3 m-70 -70.29 -48.99 54.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.644 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.5 mt -45.05 -37.81 4.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.1 t -54.12 -57.18 12.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.889 HG11 HD11 ' A' ' 109' ' ' LEU . 10.5 p -71.24 -34.54 54.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.572 HD13 ' CD1' ' A' ' 116' ' ' LEU . 37.5 mt -62.58 -18.99 63.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.48 -43.56 31.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -80.05 -39.16 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -62.11 -48.83 78.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.515 ' CD1' ' HB ' ' A' ' 122' ' ' ILE . 55.9 m-85 -117.76 88.78 31.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.659 0.742 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -32.78 17.69 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -52.38 -41.48 63.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.4 m -81.21 126.03 31.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.408 ' HB3' HG22 ' A' ' 33' ' ' VAL . 35.2 tttm -86.52 107.35 18.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -95.95 139.97 31.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.3 m -151.34 128.29 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.412 ' HD3' HD21 ' A' ' 12' ' ' LEU . 43.5 pttt -105.58 120.2 41.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.86 165.94 21.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.6 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.478 ' O ' HG23 ' A' ' 97' ' ' ILE . 8.8 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.818 0.342 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.552 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 3.9 mt -85.7 148.72 49.52 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.59 0.709 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.76 164.97 77.86 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.36 -0.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.572 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 41.5 m -135.6 129.34 32.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.4 mt -140.56 132.39 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.572 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 73.3 m-85 -134.5 127.51 31.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.449 HG22 HG22 ' A' ' 34' ' ' VAL . 16.2 t -99.6 122.78 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 37.6 m-85 -120.65 130.08 53.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.537 ' HE2' ' CE2' ' A' ' 32' ' ' TRP . 15.2 ttmt -107.5 -64.07 1.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -123.69 39.59 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.52 21.64 33.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.602 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 13.0 pt20 -126.59 -178.54 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.922 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 75.3 mt -107.8 86.14 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -58.36 -34.49 70.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -171.95 134.03 2.9 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -119.03 146.62 44.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 4.1 m-85 -134.89 101.16 4.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.478 HG23 ' O ' ' A' ' 80' ' ' CYS . 5.3 mp -120.38 115.65 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 117.42 128.2 4.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.517 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.641 HG22 ' HA2' ' A' ' 104' ' ' GLY . 91.3 mt -37.34 -58.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 111.098 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.684 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.4 mp -58.63 -51.76 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 9.6 mt-10 -46.71 -36.41 7.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.506 ' O ' HD22 ' A' ' 107' ' ' LEU . 10.4 t -94.21 30.01 2.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.479 ' N ' ' HE3' ' A' ' 115' ' ' LYS . . . 90.68 -44.3 2.89 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.641 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 112.23 175.85 19.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.607 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -59.65 -13.07 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 111.154 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.607 ' N ' HD12 ' A' ' 105' ' ' ILE . 72.2 m-20 -92.49 -11.84 33.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.576 HD21 HD13 ' A' ' 112' ' ' LEU . 61.2 tp -35.31 109.27 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -80.31 160.68 25.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.889 HD11 HG11 ' A' ' 54' ' ' VAL . 44.8 tp -54.28 -40.57 67.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -79.75 -39.47 30.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -48.95 -56.49 8.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.576 HD13 HD21 ' A' ' 107' ' ' LEU . 70.2 tp -58.24 -44.15 88.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.657 ' O ' HD11 ' A' ' 122' ' ' ILE . 12.7 tt0 -42.44 -38.87 2.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.49 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.6 t90 -70.08 -54.22 14.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.529 ' O ' HG23 ' A' ' 119' ' ' VAL . 16.9 mttm -40.35 -45.14 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.572 ' CD1' HD13 ' A' ' 55' ' ' LEU . 12.8 mt -72.75 -29.43 63.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 114' ' ' TRP . 8.6 t -74.57 -60.32 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -40.94 -29.94 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.611 HG12 ' HZ3' ' A' ' 32' ' ' TRP . 92.7 t -76.4 -40.39 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 123.81 6.15 7.28 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.522 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -76.77 -48.49 18.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.657 HD11 ' O ' ' A' ' 113' ' ' GLU . 10.4 pt -131.32 -177.84 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.161 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.607 ' N ' ' NE2' ' A' ' 123' ' ' GLN . 1.7 mp0 -119.38 97.68 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.3 p -82.38 142.16 32.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.808 0.337 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -107.45 -176.4 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.47 43.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -174.39 176.69 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.516 HD21 ' HD2' ' A' ' 66' ' ' LYS . 29.3 tp -110.99 118.09 35.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -109.36 173.55 6.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -126.23 143.55 51.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' A' ' 20' ' ' TYR . 41.0 pt -135.27 171.98 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -104.99 167.39 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -48.27 -60.15 5.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.52 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -50.61 -35.45 30.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -75.92 -33.74 59.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.899 ' CE2' HD13 ' A' ' 35' ' ' ILE . 15.9 t80 -38.5 -51.58 1.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.576 HG13 ' CB ' ' A' ' 25' ' ' THR . 66.0 t -69.63 -71.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -41.63 -23.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' VAL . 17.9 mm-40 -94.65 -73.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 19.9 t -66.65 -71.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.576 ' CB ' HG13 ' A' ' 21' ' ' VAL . 31.9 m -41.13 -64.56 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -81.67 35.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 24' ' ' VAL . . . -74.86 174.7 8.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.473 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -53.27 176.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.486 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 22.5 ttpt -84.84 -69.63 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -85.96 43.49 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 6.1 tp -121.9 149.92 42.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.551 ' CZ2' ' HG3' ' A' ' 88' ' ' LYS . 73.4 m95 -113.07 107.33 15.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.9 t -102.44 115.75 44.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.642 HG22 HG22 ' A' ' 86' ' ' VAL . 65.7 t -111.24 109.57 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.899 HD13 ' CE2' ' A' ' 20' ' ' TYR . 12.4 tt -100.5 152.64 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -141.38 108.87 5.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.659 HD12 ' HB ' ' A' ' 83' ' ' THR . 8.1 mt -71.78 91.36 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.407 ' CE1' ' HG3' ' A' ' 66' ' ' LYS . 4.0 p90 -95.22 151.66 19.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 9.6 mtp-105 -148.82 128.12 12.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.2 t -49.33 -24.98 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 t -70.4 -34.28 72.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 44' ' ' MET . 10.9 t -90.75 116.25 65.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 111.158 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -18.62 36.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.55 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -72.23 -49.76 32.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.2 p -48.94 -29.43 4.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.0 mt -53.66 -63.55 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 44' ' ' MET . 7.2 p -59.05 -33.83 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.458 HG23 ' SD ' ' A' ' 44' ' ' MET . 59.1 t -67.58 -37.25 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -69.46 -36.3 76.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -59.18 -40.35 85.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.539 ' CB ' HD12 ' A' ' 109' ' ' LEU . 5.1 m-70 -69.17 -49.48 56.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.579 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.8 mt -51.81 -32.65 32.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.5 t -60.24 -53.96 51.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.621 ' CG1' HD11 ' A' ' 109' ' ' LEU . 11.9 p -75.28 -27.94 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.76 -19.35 65.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.4 -42.76 64.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.093 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 7.8 ptm180 -78.55 -36.04 45.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 31.1 tttp -63.77 -47.94 78.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -118.28 87.17 29.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 -28.76 24.48 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.691 2.261 . . . . 0.0 112.301 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -61.2 -48.41 81.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 32' ' ' TRP . 82.4 m -78.15 126.54 30.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -74.06 140.37 45.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -130.4 118.23 20.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.6 m -144.54 163.28 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.516 ' HD2' HD21 ' A' ' 12' ' ' LEU . 1.1 pmtp? -145.1 155.1 43.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.04 132.27 16.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.054 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.2 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 10.5 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.902 0.382 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.543 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 79.0 mt -67.67 148.7 98.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.623 0.725 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.7 143.33 73.45 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 -1.784 . . . . 0.0 112.364 -0.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.659 ' HB ' HD12 ' A' ' 37' ' ' LEU . 86.2 m -120.9 144.99 48.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 87.6 mt -146.09 134.64 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 95' ' ' LYS . 40.3 m-85 -136.45 141.0 43.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.642 HG22 HG22 ' A' ' 34' ' ' VAL . 61.4 t -115.09 132.43 64.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -125.1 130.79 52.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.551 ' HG3' ' CZ2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -111.58 -61.87 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 29' ' ' LYS . 17.6 m120 -119.82 38.58 3.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.76 2.56 75.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 92' ' ' ILE . 1.5 tp-100 -118.6 152.21 36.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.746 0.308 . . . . 0.0 110.928 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.507 ' N ' ' OE1' ' A' ' 91' ' ' GLN . 93.7 mt -75.01 106.74 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.52 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 36.6 mm-40 -78.33 -34.65 48.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.21 133.47 2.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 85' ' ' PHE . 45.4 pttt -122.65 152.26 40.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.358 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.408 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 11.4 m-85 -138.52 111.37 7.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 97' ' ' ILE . 5.1 mp -123.09 128.87 75.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.09 149.82 19.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.2 mm -52.54 -66.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 103' ' ' GLY . 22.6 mt -49.93 -55.72 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -46.85 -32.11 3.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.401 ' O ' ' HE3' ' A' ' 44' ' ' MET . 32.6 t -94.61 29.22 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.577 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 88.57 -41.98 3.06 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.24 166.34 21.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.556 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.697 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -55.16 -18.62 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.794 0.33 . . . . 0.0 111.115 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.697 ' N ' HD12 ' A' ' 105' ' ' ILE . 23.1 m-20 -101.14 24.1 9.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.615 HD21 ' HB2' ' A' ' 112' ' ' LEU . 3.7 tp -72.28 121.86 20.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -83.75 171.18 13.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.621 HD11 ' CG1' ' A' ' 54' ' ' VAL . 11.6 tp -65.0 -34.98 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.26 -45.27 20.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -44.99 -53.23 7.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.615 ' HB2' HD21 ' A' ' 107' ' ' LEU . 55.6 tp -63.16 -44.2 96.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -44.17 -42.53 6.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.429 ' O ' ' N ' ' A' ' 117' ' ' SER . 20.0 t90 -61.19 -54.41 44.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.55 ' O ' HG23 ' A' ' 119' ' ' VAL . 14.8 mttm -40.31 -51.04 2.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.18 -33.29 75.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 120' ' ' GLY . 10.7 t -72.77 -63.17 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -39.89 -32.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 115' ' ' LYS . 89.2 t -74.43 -39.33 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 121.83 6.7 8.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.532 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -75.34 -42.72 53.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 111.119 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 32.9 pt -136.52 -179.55 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -115.51 104.21 11.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.1 p -106.99 156.28 18.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.893 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.6 mttp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -112.16 -70.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.85 43.43 7.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -174.99 143.81 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.2 tp -80.0 121.71 25.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 mtt-85 -110.56 -176.56 3.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -142.4 115.8 9.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 20' ' ' TYR . 30.0 pt -109.02 166.62 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.407 ' H ' ' CG ' ' A' ' 19' ' ' GLN . 3.4 m -97.74 164.59 12.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.69 -30.79 66.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -66.2 -40.7 90.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.407 ' CG ' ' H ' ' A' ' 16' ' ' SER . 1.8 pt20 -89.89 -1.64 58.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.788 ' CE2' HD13 ' A' ' 35' ' ' ILE . 4.9 t80 -55.39 -54.54 42.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.715 HG13 ' CB ' ' A' ' 25' ' ' THR . 99.6 t -65.72 -59.72 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.183 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -47.19 -22.05 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -100.9 -75.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.694 HG22 HG11 ' A' ' 33' ' ' VAL . 76.4 t -60.17 -72.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.715 ' CB ' HG13 ' A' ' 21' ' ' VAL . 87.0 m -39.47 -67.78 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -83.44 33.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -65.12 151.15 46.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.109 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 9.3 tp10 -41.86 159.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 44.4 tttt -63.47 -75.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.63 48.87 0.97 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.455 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 6.6 tp -130.15 136.92 49.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.573 ' CZ2' ' HE3' ' A' ' 88' ' ' LYS . 84.8 m95 -103.58 107.94 19.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.694 HG11 HG22 ' A' ' 24' ' ' VAL . 62.0 t -102.57 104.66 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 86' ' ' VAL . 96.9 t -103.84 102.04 13.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.788 HD13 ' CE2' ' A' ' 20' ' ' TYR . 15.4 tt -94.0 152.71 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -140.11 112.25 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 67' ' ' ALA . 8.8 mt -79.64 86.38 5.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -79.55 150.51 31.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.965 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -146.08 121.29 10.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.8 p -49.53 -21.42 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 t -78.67 9.92 3.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.534 HG21 ' HB2' ' A' ' 81' ' ' LEU . 15.0 t -133.07 121.59 16.88 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.566 0.698 . . . . 0.0 111.084 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -30.49 22.28 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.579 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -64.67 -51.16 63.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 96.8 m -42.58 -35.92 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.5 mt -49.61 -64.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 44' ' ' MET . 6.8 p -59.21 -36.26 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 44' ' ' MET . 46.5 t -57.55 -46.61 86.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.458 ' HA ' HD12 ' A' ' 52' ' ' LEU . 31.0 t-20 -62.77 -43.83 97.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -53.56 -52.04 60.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' A' ' 109' ' ' LEU . 22.7 m-70 -61.41 -45.31 94.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.623 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 49' ' ' ASN . 19.5 mt -47.75 -41.16 22.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.6 t -54.68 -57.65 10.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.3 t -61.68 -42.55 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.682 HD13 ' CD1' ' A' ' 116' ' ' LEU . 63.6 mt -64.73 -18.41 65.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.43 -34.23 41.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 1.8 ptm85 -91.64 -17.16 25.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -82.93 -45.96 13.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -117.91 88.4 30.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.715 0.769 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -24.7 29.41 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -60.5 -28.55 68.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.403 ' HB ' ' CZ ' ' A' ' 64' ' ' PHE . 98.9 m -92.72 130.51 38.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -90.55 101.31 14.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.403 ' CZ ' ' HB ' ' A' ' 62' ' ' THR . 55.0 m-85 -93.45 134.28 35.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.9 m -146.73 129.89 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -98.83 128.84 45.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.433 ' HB3' HD11 ' A' ' 35' ' ' ILE . . . -141.69 122.2 14.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 34.0 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.56 ' O ' HG23 ' A' ' 97' ' ' ILE . 40.5 m . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.547 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 4.9 mt -80.55 148.77 66.83 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.597 0.713 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.75 159.9 88.88 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.364 -0.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 54.5 m -136.39 118.5 15.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.0 mt -124.52 136.08 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -129.75 135.24 48.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 34' ' ' VAL . 26.4 t -111.25 118.25 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -114.2 126.15 54.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.573 ' HE3' ' CZ2' ' A' ' 32' ' ' TRP . 0.8 OUTLIER -102.01 -67.61 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.935 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.416 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 10.1 m-80 -119.31 30.71 6.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 99.92 16.93 26.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -130.14 151.86 50.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.622 HG21 ' HE2' ' A' ' 95' ' ' LYS . 50.1 mt -75.65 88.63 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.61 -32.99 74.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -163.99 138.06 5.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.622 ' HE2' HG21 ' A' ' 92' ' ' ILE . 17.1 ptpt -132.18 145.05 51.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.531 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 54.1 m-85 -134.46 103.0 5.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 80' ' ' CYS . 4.8 mp -118.61 117.53 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 120.5 143.44 6.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.548 HG22 ' HA2' ' A' ' 104' ' ' GLY . 42.7 mm -49.6 -51.96 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.784 0.326 . . . . 0.0 111.126 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.3 mt -69.33 -40.79 80.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 14.5 mt-10 -58.43 -31.43 67.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.812 ' O ' HD22 ' A' ' 107' ' ' LEU . 2.5 t -90.0 1.62 56.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.87 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 116.32 -35.09 4.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.548 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 108.08 155.89 18.68 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.978 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.5 pp -49.25 -23.95 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.882 0.373 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.978 ' N ' HD12 ' A' ' 105' ' ' ILE . 3.7 p30 -97.11 25.41 5.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.87 HD13 ' HA3' ' A' ' 103' ' ' GLY . 57.5 tp -70.82 123.05 21.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -81.18 176.55 9.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.524 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 5.5 tp -76.6 -28.2 56.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -81.97 -49.58 10.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -49.52 -52.62 28.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.656 ' HB2' HD21 ' A' ' 107' ' ' LEU . 41.2 tp -58.07 -40.12 80.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.411 ' O ' HD11 ' A' ' 122' ' ' ILE . 38.0 tt0 -51.15 -39.87 57.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.3 t90 -60.12 -56.41 21.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.625 ' O ' HG23 ' A' ' 119' ' ' VAL . 29.9 mttp -39.73 -47.85 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.682 ' CD1' HD13 ' A' ' 55' ' ' LEU . 14.9 mt -67.5 -31.19 71.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 114' ' ' TRP . 5.4 t -76.16 -62.28 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -40.79 -30.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 115' ' ' LYS . 95.6 t -80.36 -36.91 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.175 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 124.26 -4.89 8.87 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.501 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.456 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -61.5 -35.62 78.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 111.111 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.411 HD11 ' O ' ' A' ' 113' ' ' GLU . 38.3 pt -146.42 176.64 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.58 ' NE2' ' H ' ' A' ' 123' ' ' GLN . 1.8 pm0 -119.26 91.5 3.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.8 p -96.22 175.01 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.826 0.346 . . . . 0.0 110.949 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -95.96 -175.22 3.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.15 32.23 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -171.09 149.29 2.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.1 tp -74.76 124.81 27.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.96 -176.72 3.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -144.42 135.05 24.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 20' ' ' TYR . 39.8 pt -134.74 168.69 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 m -103.21 -175.63 2.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.33 -67.9 1.91 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -47.12 -27.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -81.88 -37.84 26.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.637 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.5 t80 -38.63 -48.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.566 HG13 ' CB ' ' A' ' 25' ' ' THR . 83.6 t -68.56 -71.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -39.31 -25.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 8.5 mm-40 -99.22 -75.03 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.51 ' HA ' HG11 ' A' ' 33' ' ' VAL . 32.0 t -55.95 -50.44 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.566 ' CB ' HG13 ' A' ' 21' ' ' VAL . 85.2 m -68.55 -62.61 1.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -84.25 29.5 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -57.51 172.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.471 ' HB3' HD22 ' A' ' 31' ' ' LEU . 9.0 tm-20 -62.63 162.37 10.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 30' ' ' ASP . 22.9 ttpt -63.9 144.39 57.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.429 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 0.9 OUTLIER 37.67 42.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 28' ' ' GLU . 9.3 tp -113.08 127.13 56.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.571 ' CZ2' ' HE2' ' A' ' 88' ' ' LYS . 88.7 m95 -80.08 120.36 24.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.51 HG11 ' HA ' ' A' ' 24' ' ' VAL . 41.6 t -119.56 107.69 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.481 HG11 HD22 ' A' ' 116' ' ' LEU . 99.4 t -107.4 105.78 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.637 HD13 ' CD2' ' A' ' 20' ' ' TYR . 13.9 tt -98.62 149.29 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.504 ' CE1' ' HB3' ' A' ' 38' ' ' TYR . 5.1 t-80 -133.79 116.62 15.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.824 HD12 ' HB ' ' A' ' 83' ' ' THR . 10.4 mt -80.52 91.26 5.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.504 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 5.9 p90 -90.48 147.1 23.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.465 ' HG3' ' CD1' ' A' ' 81' ' ' LEU . 5.6 mmt85 -138.38 129.18 26.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 t -58.55 -15.82 12.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.0 t -84.81 -27.41 26.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 44' ' ' MET . 10.1 t -91.71 119.72 68.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -19.92 35.55 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.748 2.299 . . . . 0.0 112.298 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.505 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -71.84 -53.78 12.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 9.1 p -44.55 -26.12 0.33 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.4 mt -58.79 -62.42 1.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 44' ' ' MET . 4.4 p -59.69 -28.75 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.0 t -69.79 -37.61 73.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -67.6 -34.49 77.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -60.2 -50.28 74.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -68.58 -50.99 47.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.614 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.0 mt -43.95 -39.81 4.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -61.51 -44.37 97.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 81.7 t -72.33 -38.43 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.433 HD13 ' CD1' ' A' ' 116' ' ' LEU . 20.9 mt -64.11 -25.0 67.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.69 -46.5 65.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -77.17 -24.11 51.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -76.72 -46.7 24.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.574 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 65.0 m-85 -114.47 86.63 12.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.678 0.751 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -19.88 35.84 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -67.64 -35.86 79.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 90.9 m -89.73 131.91 35.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.09 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -90.61 107.92 19.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -94.32 136.65 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.8 m -144.54 140.68 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -117.87 121.55 41.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.83 132.88 35.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.548 HD22 ' O ' ' A' ' 37' ' ' LEU . 58.8 mt -98.29 154.54 37.59 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.591 0.71 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.75 172.37 49.27 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.625 -1.823 . . . . 0.0 112.374 -0.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.824 ' HB ' HD12 ' A' ' 37' ' ' LEU . 52.8 m -148.41 125.76 11.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.6 mt -124.68 141.47 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.657 ' CZ ' ' CG2' ' A' ' 83' ' ' THR . 26.9 m-85 -139.58 127.17 21.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.425 HG22 HG22 ' A' ' 34' ' ' VAL . 33.4 t -105.75 129.9 58.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -120.82 130.71 54.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.571 ' HE2' ' CZ2' ' A' ' 32' ' ' TRP . 7.8 tppt? -100.42 -64.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -128.44 27.81 5.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 110.89 14.48 12.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -132.25 149.45 52.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 110.957 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 69.4 mt -75.58 91.83 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -64.78 -32.11 73.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.64 138.76 5.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.537 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.464 ' C ' ' CD1' ' A' ' 96' ' ' PHE . 43.3 pttt -129.76 155.76 45.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.8 m-85 -143.78 108.69 4.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.433 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 5.4 mp -120.7 124.83 73.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.2 145.66 9.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.574 HG22 ' HA2' ' A' ' 104' ' ' GLY . 8.8 mm -51.09 -57.15 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.317 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.6 mt -61.27 -50.23 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 11.6 mt-10 -50.77 -31.4 16.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.573 ' O ' HD22 ' A' ' 107' ' ' LEU . 10.5 m -97.19 28.67 3.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.625 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 93.7 -44.87 2.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.574 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 104.92 162.52 23.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.483 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.867 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -51.19 -23.41 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.809 0.338 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.867 ' N ' HD12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -100.1 25.14 7.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.747 HD21 ' HB2' ' A' ' 112' ' ' LEU . 37.9 tp -68.88 128.34 36.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -82.29 178.03 8.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.5 tp -83.41 -29.33 28.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -84.32 -35.09 23.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -57.97 -59.64 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.747 ' HB2' HD21 ' A' ' 107' ' ' LEU . 61.2 tp -55.96 -34.95 66.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.852 ' O ' HD11 ' A' ' 122' ' ' ILE . 34.2 tt0 -56.34 -25.64 49.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.489 ' O ' ' N ' ' A' ' 117' ' ' SER . 17.1 t90 -82.05 -50.57 8.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -39.53 -50.19 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.481 HD22 HG11 ' A' ' 34' ' ' VAL . 15.3 mt -66.93 -29.87 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 114' ' ' TRP . 2.0 t -72.92 -58.77 3.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -43.54 -28.56 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.7 t -83.44 -33.34 9.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.464 ' O ' ' CZ2' ' A' ' 32' ' ' TRP . . . 118.39 1.67 15.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.558 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -69.39 -33.08 72.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.714 0.293 . . . . 0.0 111.043 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.852 HD11 ' O ' ' A' ' 113' ' ' GLU . 43.4 pt -146.19 -177.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.409 ' NE2' ' C ' ' A' ' 122' ' ' ILE . 6.0 mp0 -127.1 96.8 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.4 t -90.47 171.12 9.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.868 0.366 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -129.25 -178.99 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.24 42.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -174.19 133.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.2 tp -68.49 115.0 7.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -107.92 176.35 5.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -132.45 128.79 38.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.7 pt -117.02 169.01 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.2 t -97.25 178.87 5.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -62.68 -72.04 0.72 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.432 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -42.27 -30.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' TYR . 79.6 mm-40 -74.51 -38.37 62.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.968 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.672 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.6 t80 -37.44 -46.34 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.41 ' C ' ' N ' ' A' ' 23' ' ' GLU . 94.7 t -68.68 -72.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -45.99 -20.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 21' ' ' VAL . 51.3 mm-40 -96.45 -75.16 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.2 t -59.89 -60.45 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.157 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.7 m -53.71 -59.22 4.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -83.13 31.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.46 ' CB ' HG21 ' A' ' 33' ' ' VAL . . . -73.76 161.01 30.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.456 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 4.7 tp10 -54.2 154.27 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -64.9 -66.11 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -82.82 48.72 1.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 4.7 tp -132.17 140.62 48.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.548 ' CE2' ' O ' ' A' ' 120' ' ' GLY . 96.2 m95 -103.03 100.98 10.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.46 HG21 ' CB ' ' A' ' 27' ' ' ALA . 67.8 t -96.09 105.19 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.43 HG11 HD22 ' A' ' 116' ' ' LEU . 53.5 t -104.04 108.49 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.672 HD13 ' CD2' ' A' ' 20' ' ' TYR . 8.5 tt -102.65 143.76 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.818 ' CE1' HG11 ' A' ' 48' ' ' VAL . 12.2 t-80 -131.96 104.31 6.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 67' ' ' ALA . 28.2 mt -63.7 99.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.636 ' OH ' HD11 ' A' ' 68' ' ' ILE . 24.9 p90 -87.91 154.39 20.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.469 ' HD2' ' CD1' ' A' ' 81' ' ' LEU . 16.9 ttt85 -150.31 109.7 3.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.847 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.7 p -40.89 -27.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -87.81 30.78 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' ARG . 34.8 t -136.93 114.11 9.96 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.661 0.743 . . . . 0.0 111.096 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.504 ' HA ' ' CD1' ' A' ' 46' ' ' LEU . 54.6 Cg_endo -69.74 -27.01 27.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 0.0 112.396 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.567 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -65.47 -70.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 44' ' ' MET . 40.4 t -32.22 -38.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.504 ' CD1' ' HA ' ' A' ' 43' ' ' PRO . 95.2 mt -40.56 -59.32 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 44' ' ' MET . 2.9 p -67.23 -30.97 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.818 HG11 ' CE1' ' A' ' 36' ' ' HIS . 77.1 t -61.6 -45.27 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.427 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 4.3 t-20 -61.39 -36.9 81.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -55.15 -39.64 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.44 ' CG ' ' HA ' ' A' ' 109' ' ' LEU . 9.5 m-70 -79.93 -50.74 10.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.597 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.496 HD12 HG12 ' A' ' 48' ' ' VAL . 31.4 mt -47.82 -30.69 4.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.4 t -61.19 -58.03 10.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.1 p -73.07 -26.87 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.46 HD21 ' HG3' ' A' ' 113' ' ' GLU . 15.5 mt -68.26 -19.4 64.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.52 -40.49 35.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -83.17 -32.14 26.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.3 tttt -67.57 -47.32 70.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -118.6 90.67 40.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.597 0.713 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.85 29.23 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -56.24 -41.56 75.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.1 m -84.19 132.64 34.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.4 tttt -95.07 89.28 5.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -76.42 133.44 39.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.3 m -145.4 134.07 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.6 pttt -107.7 123.9 49.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.471 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -138.31 134.88 34.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.076 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.636 HD11 ' OH ' ' A' ' 38' ' ' TYR . 16.7 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.86 0.362 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.547 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 5.6 mt -59.98 150.91 67.59 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.573 0.701 . . . . 0.0 110.937 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.82 170.91 56.42 Favored 'Cis proline' 0 C--O 1.231 0.175 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.365 -0.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.523 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 52.0 m -146.04 125.82 13.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.9 mt -126.0 144.48 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 41.3 m-85 -142.16 128.85 20.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.3 t -106.07 128.3 60.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 21.0 m-85 -122.8 132.95 54.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -130.67 -38.58 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -132.44 44.79 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 73.2 16.95 78.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.519 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.434 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 20.9 mm-40 -129.68 -174.6 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.918 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.9 mt -105.68 86.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.23 -34.62 61.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.71 129.97 2.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.453 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.6 pttt -120.38 145.14 47.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.6 m-85 -135.17 108.23 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 5.0 mp -122.11 128.63 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.72 137.23 8.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.76 HG22 ' HA2' ' A' ' 104' ' ' GLY . 76.3 mt -46.38 -52.3 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 0.0 111.1 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.5 mt -59.13 -53.09 52.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 97' ' ' ILE . 16.4 mt-10 -50.13 -35.88 27.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.1 m -90.97 27.38 1.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.21 -49.57 2.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.76 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 117.55 171.6 15.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.646 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -57.9 -15.76 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.646 ' N ' HD12 ' A' ' 105' ' ' ILE . 4.1 p30 -105.43 16.94 24.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.663 HD11 ' HB2' ' A' ' 112' ' ' LEU . 6.4 tp -57.66 130.25 45.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 163.14 13.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.44 ' HA ' ' CG ' ' A' ' 51' ' ' HIS . 26.0 tp -60.26 -38.96 85.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -74.22 -47.45 35.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -45.0 -55.88 5.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.663 ' HB2' HD11 ' A' ' 107' ' ' LEU . 50.0 tp -61.02 -40.5 93.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.704 ' O ' HD11 ' A' ' 122' ' ' ILE . 14.2 tt0 -49.58 -40.79 39.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.491 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.5 t90 -69.12 -53.05 22.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -38.67 -50.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.43 HD22 HG11 ' A' ' 34' ' ' VAL . 5.4 mt -68.09 -30.33 69.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 114' ' ' TRP . 9.6 t -72.03 -61.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -39.9 -34.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 69.1 t -75.15 -38.58 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.548 ' O ' ' CE2' ' A' ' 32' ' ' TRP . . . 121.28 4.85 9.82 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.476 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.504 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -70.72 -47.5 59.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.734 0.302 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.704 HD11 ' O ' ' A' ' 113' ' ' GLU . 9.2 pt -130.14 -175.09 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -120.25 94.01 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.404 ' HB2' ' CB ' ' A' ' 117' ' ' SER . 1.8 m -79.62 174.97 11.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 10.5 t0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 179.922 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.821 0.343 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -120.6 -174.82 2.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.66 44.26 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -174.51 141.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.449 HD22 ' HB3' ' A' ' 52' ' ' LEU . 23.2 tp -75.76 108.06 8.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -96.32 173.84 7.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -130.16 121.21 25.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 20' ' ' TYR . 46.0 pt -110.9 168.36 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.1 m -100.07 174.11 6.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.08 -70.83 0.82 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.444 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -45.49 -27.19 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -80.57 -35.74 33.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.582 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.4 t80 -41.9 -48.88 4.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.52 HG13 ' CB ' ' A' ' 25' ' ' THR . 86.9 t -68.04 -70.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -41.22 -24.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.549 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 6.2 mm-40 -97.83 -75.13 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.505 HG22 HG11 ' A' ' 33' ' ' VAL . 77.8 t -57.46 -53.46 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.52 ' CB ' HG13 ' A' ' 21' ' ' VAL . 57.4 m -64.43 -63.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -84.57 30.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -58.21 171.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.164 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.44 ' HB3' HD22 ' A' ' 31' ' ' LEU . 15.5 tp10 -59.33 153.29 19.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 21.0 tptm -60.92 130.67 47.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 55.63 41.9 30.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 28' ' ' GLU . 10.7 tp -112.08 140.24 46.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.449 ' CE2' ' O ' ' A' ' 120' ' ' GLY . 92.5 m95 -95.3 106.24 18.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.505 HG11 HG22 ' A' ' 24' ' ' VAL . 58.8 t -107.84 115.04 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 86' ' ' VAL . 93.4 t -111.49 112.54 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.582 HD13 ' CD2' ' A' ' 20' ' ' TYR . 7.4 tt -107.18 142.79 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 38' ' ' TYR . 2.6 t-160 -123.56 92.23 3.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.62 74.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.586 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 20.1 p90 -72.41 166.2 23.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' A' ' 42' ' ' VAL . 13.4 tpp180 -144.73 106.87 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' ARG . 16.5 m -36.38 -32.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' ARG . 6.1 m -84.04 31.76 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' ARG . 98.3 t -134.82 127.56 18.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.656 0.741 . . . . 0.0 111.104 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -44.83 1.84 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.636 2.224 . . . . 0.0 112.355 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.564 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -61.92 -60.29 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.477 ' H ' HG12 ' A' ' 42' ' ' VAL . 1.4 p -33.46 -37.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' MET . 89.7 mt -48.99 -62.99 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.564 HG12 ' O ' ' A' ' 44' ' ' MET . 2.6 p -60.25 -30.96 47.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.5 ' CG2' ' SD ' ' A' ' 44' ' ' MET . 58.2 t -63.6 -35.25 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -75.33 -37.42 60.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -55.43 -49.66 71.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.507 ' HB3' HD12 ' A' ' 109' ' ' LEU . 5.8 m-70 -64.32 -51.84 61.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.591 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.449 ' HB3' HD22 ' A' ' 12' ' ' LEU . 18.6 mt -40.41 -40.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.5 t -56.31 -46.66 79.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.8 t -75.65 -40.71 40.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.611 HD21 ' HG2' ' A' ' 113' ' ' GLU . 22.4 mt -64.29 -25.49 68.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.52 -39.79 85.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -84.63 -36.47 21.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -62.59 -45.92 90.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.426 ' CZ ' HD12 ' A' ' 122' ' ' ILE . 55.1 m-85 -114.57 87.75 14.81 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.65 0.738 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -28.41 25.51 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.729 2.286 . . . . 0.0 112.363 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -61.49 -58.67 7.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.7 m -65.99 122.79 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -79.61 118.51 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -109.16 128.98 55.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.3 m -140.29 139.88 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -116.49 127.79 54.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.85 129.68 24.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.2 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.418 ' C ' ' HG ' ' A' ' 81' ' ' LEU . 2.9 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.855 0.36 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.547 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 18.8 mt -152.82 151.23 26.15 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.566 0.698 . . . . 0.0 110.954 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.73 169.0 65.35 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.358 -0.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.5 ' CG2' ' CZ ' ' A' ' 85' ' ' PHE . 55.3 m -133.22 131.14 39.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.469 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 2.3 mm -126.02 147.24 30.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.5 ' CZ ' ' CG2' ' A' ' 83' ' ' THR . 32.3 m-85 -146.67 119.4 8.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 34' ' ' VAL . 60.5 t -103.87 135.13 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -125.33 134.17 52.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . 22.4 tptp -117.73 -50.87 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -130.3 44.68 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.16 28.75 55.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -141.2 -175.38 4.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.764 0.316 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 88.1 mt -103.16 91.83 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.432 ' HG3' ' CB ' ' A' ' 88' ' ' LYS . 20.5 mm-40 -69.01 -29.02 67.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -173.02 139.6 5.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -133.89 149.81 51.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 115' ' ' LYS . 58.1 m-85 -134.18 90.33 2.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.0 mp -100.36 108.67 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 111.6 134.95 6.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.543 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.838 HG22 ' HA2' ' A' ' 104' ' ' GLY . 4.4 mp -35.27 -58.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.326 . . . . 0.0 111.114 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.2 mt -45.48 -52.79 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -58.28 -37.29 74.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.435 ' C ' ' HE3' ' A' ' 115' ' ' LYS . 1.8 m -74.97 -16.13 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 128.69 -34.36 2.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.838 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 128.2 144.91 5.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.929 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.4 pp -40.65 -33.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 111.157 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.929 ' N ' HD12 ' A' ' 105' ' ' ILE . 25.3 m120 -92.62 31.83 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 104' ' ' GLY . 5.4 tp -67.27 130.21 42.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -92.32 179.99 5.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.507 HD12 ' HB3' ' A' ' 51' ' ' HIS . 6.5 tp -73.8 -29.77 62.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -81.34 -46.04 15.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -50.88 -42.39 59.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.513 ' HB2' HD21 ' A' ' 107' ' ' LEU . 65.0 tp -71.23 -38.1 71.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.611 ' HG2' HD21 ' A' ' 55' ' ' LEU . 23.2 mt-10 -52.07 -28.64 18.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.493 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.8 t90 -74.86 -58.59 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 15.3 mttm -40.25 -44.73 1.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.54 ' CD1' HD13 ' A' ' 55' ' ' LEU . 15.6 mt -70.21 -31.71 69.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 120' ' ' GLY . 3.7 t -76.74 -61.96 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -39.84 -33.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 115' ' ' LYS . 73.3 t -75.03 -37.75 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 124.06 -0.59 9.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -67.48 -46.46 72.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 111.077 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.497 HD11 ' O ' ' A' ' 113' ' ' GLU . 25.4 pt -135.81 -175.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -127.59 92.14 3.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.6 p -93.76 158.63 15.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.762 0.315 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.552 ' CE2' ' HD2' ' A' ' 63' ' ' LYS . 4.0 m-85 -107.26 -175.93 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -176.02 37.78 0.1 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -175.0 154.08 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.5 tp -74.08 129.74 38.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -119.83 163.8 16.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -124.31 128.96 49.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 8.0 pt -114.49 173.78 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -98.43 178.89 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -62.59 -74.18 0.44 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -39.91 -35.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.802 0.334 . . . . 0.0 110.907 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 20' ' ' TYR . 21.7 mm100 -69.12 -38.97 79.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.592 ' CE2' HD13 ' A' ' 35' ' ' ILE . 6.7 t80 -34.0 -52.55 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.43 HG13 ' CB ' ' A' ' 25' ' ' THR . 98.4 t -67.27 -70.06 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -43.65 -21.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.59 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 5.3 mm-40 -100.14 -76.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 20' ' ' TYR . 98.6 t -57.4 -55.37 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.43 ' CB ' HG13 ' A' ' 21' ' ' VAL . 61.5 m -62.16 -67.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -80.62 37.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -69.9 168.29 15.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.053 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -51.78 -174.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.27 -62.27 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -91.08 41.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 32' ' ' TRP . 14.6 tp -125.83 155.08 41.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.539 ' CE2' ' O ' ' A' ' 120' ' ' GLY . 92.2 m95 -121.8 106.16 11.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.436 ' CG1' HG22 ' A' ' 24' ' ' VAL . 67.3 t -98.35 98.83 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.196 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.549 HG22 HG22 ' A' ' 86' ' ' VAL . 74.8 t -97.39 98.7 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.592 HD13 ' CE2' ' A' ' 20' ' ' TYR . 18.7 tt -88.44 156.89 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -137.87 124.65 21.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.533 HD12 ' HB ' ' A' ' 83' ' ' THR . 36.7 mt -94.34 130.48 40.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -135.46 139.52 44.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.774 ' HG2' HG23 ' A' ' 42' ' ' VAL . 3.3 ptp180 -106.94 20.46 19.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 m 44.32 24.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.464 ' HB3' ' CD ' ' A' ' 39' ' ' ARG . 4.0 t -131.17 -32.29 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.774 HG23 ' HG2' ' A' ' 39' ' ' ARG . 9.6 t -86.06 135.28 37.47 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.716 . . . . 0.0 111.149 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 53.7 Cg_endo -69.81 -43.78 2.42 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.254 . . . . 0.0 112.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.88 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -49.96 -49.47 50.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 46' ' ' LEU . 2.3 p -60.93 -43.77 98.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.467 ' N ' ' SG ' ' A' ' 45' ' ' CYS . 36.1 mt -50.68 -55.45 16.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 44' ' ' MET . 3.3 p -61.92 -39.24 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 44' ' ' MET . 89.5 t -52.1 -44.58 40.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.647 ' HA ' HD12 ' A' ' 52' ' ' LEU . 29.4 t-20 -65.36 -40.77 94.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -46.77 -45.26 19.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.747 ' HB3' HD12 ' A' ' 109' ' ' LEU . 11.6 m-70 -73.94 -48.34 31.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 49' ' ' ASN . 40.3 mt -41.86 -34.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.6 t -58.25 -58.36 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 51' ' ' HIS . 13.2 p -70.92 -28.79 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.3 mt -72.38 -15.29 61.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.64 -43.92 21.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -77.87 -35.64 50.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -66.65 -44.29 82.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.427 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 29.8 m-85 -115.47 93.42 36.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.1 Cg_endo -69.83 -35.51 12.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.312 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -54.9 -53.97 48.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.5 m -69.5 126.11 28.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.552 ' HD2' ' CE2' ' A' ' 9' ' ' PHE . 22.1 tttp -92.67 101.84 14.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -89.16 124.16 34.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.7 m -137.74 139.84 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.46 140.92 44.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.99 140.36 19.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.814 ' O ' HG23 ' A' ' 97' ' ' ILE . 4.3 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.866 0.365 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.575 HD12 ' NE ' ' A' ' 39' ' ' ARG . 76.6 mt -84.56 148.4 51.93 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.603 0.716 . . . . 0.0 110.921 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.77 165.32 76.98 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.637 -1.818 . . . . 0.0 112.364 -0.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.533 ' HB ' HD12 ' A' ' 37' ' ' LEU . 86.8 m -138.78 118.33 12.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.455 HD11 HG11 ' A' ' 48' ' ' VAL . 60.6 mt -129.66 118.0 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -115.3 136.51 53.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.549 HG22 HG22 ' A' ' 34' ' ' VAL . 48.8 t -112.92 128.96 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -120.09 136.19 54.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.507 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 21.5 tptp -114.2 -62.98 1.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.437 ' CG ' ' HG3' ' A' ' 88' ' ' LYS . 0.5 OUTLIER -119.84 43.66 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.2 -0.24 87.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 92' ' ' ILE . 2.2 tt0 -120.98 153.91 36.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.32 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.471 ' N ' ' HG3' ' A' ' 91' ' ' GLN . 92.1 mt -73.68 113.33 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -89.28 -33.84 16.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.18 118.29 0.8 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -114.42 158.52 21.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -141.91 106.81 4.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.814 HG23 ' O ' ' A' ' 80' ' ' CYS . 5.4 mp -120.04 113.25 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.08 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.55 139.46 8.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.602 HG12 HG23 ' A' ' 105' ' ' ILE . 2.5 mp -39.68 -59.3 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.681 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.2 mp -51.14 -57.43 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 97' ' ' ILE . 14.9 mt-10 -50.93 -31.68 18.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.438 ' C ' ' HE3' ' A' ' 115' ' ' LYS . 1.8 m -82.68 -19.48 38.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 126.79 -33.29 3.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.52 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.471 ' HA2' ' CG2' ' A' ' 99' ' ' ILE . . . 135.71 142.27 4.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.721 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.6 pp -45.06 -24.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 111.098 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.721 ' N ' HD12 ' A' ' 105' ' ' ILE . 24.3 m-20 -99.03 29.01 4.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.696 HD21 ' HB2' ' A' ' 112' ' ' LEU . 57.2 tp -57.11 117.85 4.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -74.45 162.99 28.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.747 HD12 ' HB3' ' A' ' 51' ' ' HIS . 26.7 tp -58.94 -40.37 84.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -76.63 -43.96 36.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -44.64 -53.27 7.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.696 ' HB2' HD21 ' A' ' 107' ' ' LEU . 61.0 tp -62.77 -43.59 98.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.714 ' O ' HD11 ' A' ' 122' ' ' ILE . 44.5 tt0 -43.46 -37.38 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.497 ' O ' ' N ' ' A' ' 117' ' ' SER . 24.0 t90 -69.06 -56.72 6.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 119' ' ' VAL . 13.4 mttm -39.67 -47.83 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.427 HD22 HG11 ' A' ' 34' ' ' VAL . 14.1 mt -68.16 -30.83 70.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 120' ' ' GLY . 4.0 t -75.53 -61.06 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -39.61 -31.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 115' ' ' LYS . 98.1 t -76.94 -38.28 28.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.539 ' O ' ' CE2' ' A' ' 32' ' ' TRP . . . 121.42 10.24 6.71 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.52 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -79.47 -45.45 19.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.714 HD11 ' O ' ' A' ' 113' ' ' GLU . 33.8 pt -132.15 -177.42 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.59 89.25 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.2 p -80.31 175.32 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.935 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -121.68 -68.63 0.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.55 41.8 8.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -175.01 154.93 1.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.6 tp -88.15 121.32 30.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -106.07 170.53 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -128.12 133.14 48.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 20' ' ' TYR . 42.7 pt -127.53 174.13 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -106.98 -179.15 3.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.4 -43.74 96.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -63.24 -36.52 83.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' TYR . 32.1 mt-30 -77.24 -36.46 54.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.561 ' HA ' HD12 ' A' ' 15' ' ' ILE . 1.6 t80 -35.56 -50.71 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.404 ' C ' ' N ' ' A' ' 23' ' ' GLU . 57.3 t -69.65 -64.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -49.13 -17.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 7.1 mm-40 -105.06 -75.43 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.566 ' HA ' HG11 ' A' ' 33' ' ' VAL . 46.4 t -55.8 -58.52 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 21' ' ' VAL . 86.5 m -60.89 -69.61 0.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -80.38 38.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.636 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -64.5 172.39 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -59.36 158.84 8.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -55.15 135.26 49.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 42.59 49.55 4.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.636 HD23 ' HB1' ' A' ' 27' ' ' ALA . 57.1 tp -111.06 116.14 30.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.566 ' CE3' ' HA ' ' A' ' 121' ' ' ALA . 83.6 m95 -74.61 99.06 3.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.566 HG11 ' HA ' ' A' ' 24' ' ' VAL . 59.4 t -101.11 114.54 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 86' ' ' VAL . 85.6 t -112.57 106.82 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.552 HD13 ' CE2' ' A' ' 20' ' ' TYR . 16.8 tt -99.39 159.49 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -150.53 111.18 4.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 67' ' ' ALA . 8.9 mt -74.04 114.04 11.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -114.53 159.02 20.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.533 ' HE ' HG23 ' A' ' 42' ' ' VAL . 6.4 ptt180 -175.26 129.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.492 ' O ' ' C ' ' A' ' 41' ' ' SER . 36.2 t -35.77 -58.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.492 ' C ' ' O ' ' A' ' 40' ' ' SER . 58.4 m -31.07 -43.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.533 HG23 ' HE ' ' A' ' 39' ' ' ARG . 15.6 t -91.85 129.15 43.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.6 0.714 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -51.22 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.372 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.851 ' SD ' HG23 ' A' ' 99' ' ' ILE . 7.8 mtp -54.34 -54.11 44.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.2 m -38.36 -38.22 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.06 -68.49 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.2 p -50.66 -38.41 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 44' ' ' MET . 96.1 t -62.21 -40.16 86.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.531 ' HA ' HD12 ' A' ' 52' ' ' LEU . 3.0 m-20 -57.25 -44.94 84.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -54.95 -49.59 70.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -56.68 -46.43 81.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.595 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 49' ' ' ASN . 27.4 mt -52.4 -41.97 63.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.4 t -54.79 -38.47 67.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.2 t -80.26 -41.55 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 40.9 mt -63.72 -28.01 69.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.3 -49.23 74.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -72.26 -36.13 68.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -62.46 -49.51 75.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.588 ' CZ ' HD12 ' A' ' 122' ' ' ILE . 40.4 m-85 -112.84 91.64 18.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -36.08 11.3 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.322 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -55.36 -54.89 38.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.6 m -68.83 120.35 14.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -76.34 116.83 17.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.36 126.24 51.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.8 m -139.61 142.58 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.02 141.75 49.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.532 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -162.46 138.96 7.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 32.1 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.744 ' O ' HG23 ' A' ' 97' ' ' ILE . 27.1 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.859 0.362 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.536 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 26.5 mt -96.57 152.09 38.38 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.601 0.715 . . . . 0.0 110.922 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.75 163.75 80.97 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.371 -0.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.619 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 54.8 m -138.96 141.18 38.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 70.6 mt -143.52 121.47 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.619 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 77.7 m-85 -123.17 136.68 54.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 34' ' ' VAL . 24.6 t -111.96 115.36 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 43.5 m-85 -115.48 128.82 56.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.509 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 19.5 ttpt -122.1 -60.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -109.13 38.87 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.49 18.15 76.39 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.593 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 42.7 mt-30 -126.51 -174.93 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 110.889 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 79.2 mt -104.68 85.05 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -55.18 -35.18 64.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.88 126.26 1.33 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.527 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.53 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 14.9 pttm -115.43 148.16 39.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 5.8 m-85 -140.32 105.0 4.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.744 HG23 ' O ' ' A' ' 80' ' ' CYS . 5.0 mp -124.43 129.41 73.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 112.69 124.52 4.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.851 HG23 ' SD ' ' A' ' 44' ' ' MET . 60.9 mt -35.59 -53.58 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 111.129 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.2 mt -64.4 -49.46 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 25.5 mt-10 -51.42 -33.02 28.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.7 t -90.2 23.31 2.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.07 -46.68 1.69 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.43 160.42 11.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.647 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -50.41 -20.47 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.647 ' N ' HD12 ' A' ' 105' ' ' ILE . 3.5 p30 -101.79 25.75 8.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.42 HD21 ' HB2' ' A' ' 112' ' ' LEU . 7.9 tp -67.8 122.21 17.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -80.94 162.65 23.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 29.1 tp -61.71 -40.15 94.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 111' ' ' GLU . 19.9 pt-20 -73.24 -42.04 63.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 4.6 mm-40 -47.37 -54.78 10.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.42 ' HB2' HD21 ' A' ' 107' ' ' LEU . 63.9 tp -58.94 -43.57 91.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.401 ' O ' HD11 ' A' ' 122' ' ' ILE . 13.5 tt0 -43.61 -41.29 4.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.49 ' O ' ' N ' ' A' ' 117' ' ' SER . 24.0 t90 -67.47 -56.48 9.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -38.04 -52.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.485 HD22 HG11 ' A' ' 34' ' ' VAL . 13.3 mt -65.91 -31.95 73.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 120' ' ' GLY . 3.7 t -72.53 -62.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -38.93 -37.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 71.5 t -72.72 -38.13 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 121.35 3.07 10.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.566 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -68.65 -40.38 80.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.328 . . . . 0.0 111.097 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.588 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 34.6 pt -140.39 -176.02 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -125.4 102.56 7.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.1 p -101.88 160.33 14.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.815 0.34 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -116.64 -70.78 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.34 49.25 5.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.49 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.441 ' OE2' ' C ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -175.11 168.24 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.0 110.88 -179.838 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.441 ' C ' ' OE2' ' A' ' 11' ' ' GLU . 29.8 tp -107.63 126.78 53.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.406 ' HG2' ' CD ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -121.78 -177.96 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -133.69 134.9 43.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 20' ' ' TYR . 42.8 pt -122.79 167.46 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.7 p -96.52 178.99 5.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.52 -49.89 66.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -58.83 -32.54 69.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -79.64 -32.69 41.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.837 ' CE2' HD13 ' A' ' 35' ' ' ILE . 3.3 t80 -38.62 -52.48 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.503 HG13 ' CB ' ' A' ' 25' ' ' THR . 53.2 t -67.94 -70.21 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -43.16 -22.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.441 ' O ' ' CA ' ' A' ' 27' ' ' ALA . 69.6 mm-40 -98.37 -75.57 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.453 HG22 HG11 ' A' ' 33' ' ' VAL . 24.7 t -60.13 -58.35 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.503 ' CB ' HG13 ' A' ' 21' ' ' VAL . 89.5 m -56.84 -67.51 0.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -83.07 34.23 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.522 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -58.99 166.48 2.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.517 ' HB3' HD22 ' A' ' 31' ' ' LEU . 21.6 tt0 -50.5 154.49 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.456 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -50.84 139.09 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.413 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 5.1 p-10 37.77 49.83 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.522 HD23 ' HB1' ' A' ' 27' ' ' ALA . 12.8 tp -115.49 123.9 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.558 ' CZ3' ' HG3' ' A' ' 93' ' ' GLU . 73.8 m95 -84.04 112.12 19.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.715 HG13 ' HG2' ' A' ' 63' ' ' LYS . 91.1 t -110.64 120.39 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.534 HG11 HD22 ' A' ' 116' ' ' LEU . 91.7 t -109.6 109.9 30.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.837 HD13 ' CE2' ' A' ' 20' ' ' TYR . 9.3 tt -98.62 145.8 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -137.23 112.74 9.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.507 HD12 ' HB ' ' A' ' 83' ' ' THR . 8.6 mt -79.21 99.55 7.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -90.29 157.57 17.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -151.03 122.45 7.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -53.49 -25.98 18.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.6 m -71.21 -33.77 70.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 t -90.94 120.16 68.74 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -25.27 28.69 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -51.24 60.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 46' ' ' LEU . 1.9 p -42.27 -42.34 3.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.438 ' N ' ' SG ' ' A' ' 45' ' ' CYS . 85.4 mt -45.3 -59.55 2.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.431 HG12 ' NE2' ' A' ' 51' ' ' HIS . 21.6 t -55.12 -41.1 57.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.4 t -61.62 -41.75 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -67.02 -32.29 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -63.79 -41.68 97.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.431 ' NE2' HG12 ' A' ' 47' ' ' VAL . 31.8 m-70 -73.19 -51.11 19.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.579 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.6 mt -47.11 -23.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -71.7 -55.38 7.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -72.42 -29.16 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.36 -17.75 62.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.419 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -80.11 -43.75 21.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.078 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.79 -27.49 55.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HG2' ' CE1' ' A' ' 59' ' ' PHE . 40.7 tttt -74.49 -44.23 52.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.405 ' CE1' ' HG2' ' A' ' 58' ' ' LYS . 36.7 m-85 -117.02 83.75 15.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.694 0.759 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.65 30.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.307 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -70.26 -25.0 63.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.4 m -95.75 129.38 42.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.715 ' HG2' HG13 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -74.58 136.99 42.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.419 ' CD2' ' HA ' ' A' ' 56' ' ' ALA . 88.9 m-85 -131.56 112.37 12.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.46 148.54 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -129.32 143.16 50.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.77 154.54 43.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.8 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 29.0 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 16.2 mt -72.64 153.22 91.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.566 0.698 . . . . 0.0 110.949 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.72 176.94 30.51 Favored 'Cis proline' 0 C--O 1.232 0.212 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.39 -0.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.507 ' HB ' HD12 ' A' ' 37' ' ' LEU . 27.5 m -149.64 133.83 17.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.6 mt -135.32 141.01 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.409 ' O ' HG22 ' A' ' 35' ' ' ILE . 48.3 m-85 -139.78 109.88 6.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.5 t -88.7 136.63 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 23.9 m-85 -125.01 134.14 52.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -110.67 -57.93 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -128.77 39.79 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 90.04 21.97 37.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.51 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 1.0 OUTLIER -130.66 -175.43 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.32 . . . . 0.0 110.936 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.508 HG21 ' HE2' ' A' ' 95' ' ' LYS . 39.7 mt -104.57 83.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.558 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 40.0 mm-40 -56.81 -37.58 71.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -161.67 136.91 4.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.508 ' HE2' HG21 ' A' ' 92' ' ' ILE . 15.3 ptpt -129.9 144.53 51.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.329 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.466 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 3.0 m-85 -134.12 105.73 6.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.7 mp -117.18 117.52 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.57 130.74 4.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.426 HG22 ' HA2' ' A' ' 104' ' ' GLY . 97.2 mt -43.63 -45.79 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 111.096 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.464 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.1 mp -71.73 -40.14 69.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.43 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 13.2 mt-10 -61.04 -23.42 65.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.416 ' C ' ' HE3' ' A' ' 115' ' ' LYS . 30.5 t -101.33 22.32 12.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.29 -41.42 2.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 107' ' ' LEU . . . 109.93 159.96 18.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 1.026 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.3 pp -44.58 -25.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 111.122 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 1.026 ' N ' HD12 ' A' ' 105' ' ' ILE . 25.8 m120 -90.17 24.2 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.805 HD21 ' HB2' ' A' ' 112' ' ' LEU . 63.5 tp -62.65 119.02 8.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -88.84 147.03 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.0 tp -43.69 -31.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -80.72 -52.93 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -40.99 -54.52 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.805 ' HB2' HD21 ' A' ' 107' ' ' LEU . 45.1 tp -65.7 -35.7 81.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.502 ' O ' HD11 ' A' ' 122' ' ' ILE . 34.4 tt0 -56.92 -35.55 69.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.6 t90 -73.86 -54.49 7.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.607 ' O ' HG23 ' A' ' 119' ' ' VAL . 30.2 mttm -38.65 -51.78 1.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.534 HD22 HG11 ' A' ' 34' ' ' VAL . 17.2 mt -65.75 -31.12 71.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.9 t -72.98 -62.45 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -40.21 -27.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 115' ' ' LYS . 81.6 t -78.91 -39.31 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 123.76 2.23 8.78 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.18 -45.37 60.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.725 0.298 . . . . 0.0 111.067 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.502 HD11 ' O ' ' A' ' 113' ' ' GLU . 35.8 pt -134.64 -175.33 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -122.12 103.2 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.4 p -88.88 178.41 6.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.868 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.4 mttm . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.786 0.326 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -105.05 -176.07 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.67 41.81 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -175.35 162.58 2.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.3 tp -83.83 126.26 32.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -115.39 -178.22 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -137.64 147.19 44.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 20' ' ' TYR . 37.9 pt -134.31 171.21 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.9 p -102.68 177.5 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -57.49 -74.77 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.457 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -39.88 -33.05 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' TYR . 16.0 mm-40 -75.69 -39.55 57.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.702 ' CE2' HD13 ' A' ' 35' ' ' ILE . 2.1 t80 -35.4 -48.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.595 HG13 ' CB ' ' A' ' 25' ' ' THR . 91.9 t -73.57 -67.02 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -46.55 -18.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.947 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 5.5 mm-40 -101.36 -68.85 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.411 HG12 ' CG ' ' A' ' 87' ' ' TYR . 39.8 t -66.62 -51.76 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.595 ' CB ' HG13 ' A' ' 21' ' ' VAL . 28.7 m -66.95 -68.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -78.27 40.09 0.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.947 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -81.62 166.61 20.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 22.1 tt0 -53.89 151.68 6.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' LYS . 10.8 tttm -64.06 -59.54 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -89.22 50.83 2.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 5.9 tp -138.7 138.53 37.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.551 ' CZ2' ' HE3' ' A' ' 88' ' ' LYS . 91.3 m95 -102.46 119.59 39.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.1 t -113.92 101.99 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.594 HG22 HG22 ' A' ' 86' ' ' VAL . 94.6 t -97.71 101.31 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.702 HD13 ' CE2' ' A' ' 20' ' ' TYR . 13.0 tt -92.83 146.5 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.468 ' CE1' ' HB ' ' A' ' 48' ' ' VAL . 6.2 t-160 -130.18 102.08 6.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.0 mt -64.71 120.31 12.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.455 ' CD1' ' HB2' ' A' ' 66' ' ' LYS . 16.4 p90 -128.32 141.93 51.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.731 ' CG ' HG23 ' A' ' 42' ' ' VAL . 2.0 ptp180 -117.96 24.5 10.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 39' ' ' ARG . 1.2 t 37.43 27.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' ARG . 1.9 m -131.5 -32.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.731 HG23 ' CG ' ' A' ' 39' ' ' ARG . 5.2 t -78.56 136.34 59.8 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.623 0.725 . . . . 0.0 111.156 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 53.8 Cg_endo -69.76 -36.42 10.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.365 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.405 ' SD ' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -58.95 -40.25 84.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.42 -51.32 47.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.2 mt -43.86 -45.42 7.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.441 HG12 ' NE2' ' A' ' 51' ' ' HIS . 90.2 t -67.35 -44.5 87.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.468 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 54.0 t -58.44 -44.12 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -59.65 -40.55 88.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -57.16 -46.86 82.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.486 ' CB ' HD23 ' A' ' 112' ' ' LEU . 20.0 m-70 -68.06 -51.39 47.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.631 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.456 ' CD1' HG12 ' A' ' 48' ' ' VAL . 55.7 mt -51.98 -38.26 56.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.9 t -54.69 -57.21 12.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.0 p -72.06 -29.8 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt -71.22 -18.57 62.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.438 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . . . -76.38 -43.04 42.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.078 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -80.23 -38.62 30.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -64.3 -43.87 93.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -116.34 92.31 36.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.718 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -33.42 16.52 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.661 2.24 . . . . 0.0 112.361 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -54.04 -49.47 68.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 87.2 m -70.95 127.06 31.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -93.37 89.76 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.438 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 40.4 m-85 -76.37 135.29 39.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.7 m -150.07 137.2 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . 28.7 pttt -110.03 137.59 47.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.08 134.59 38.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 85.6 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.413 ' O ' HG23 ' A' ' 97' ' ' ILE . 6.0 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.859 0.361 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.54 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 25.1 mt -90.24 154.77 46.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.71 173.52 44.09 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.309 -0.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.541 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 51.5 m -147.35 141.72 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.602 HG23 ' O ' ' A' ' 35' ' ' ILE . 58.7 mt -143.74 136.32 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.184 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.541 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 71.8 m-85 -133.25 118.58 18.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.594 HG22 HG22 ' A' ' 34' ' ' VAL . 43.1 t -92.55 127.28 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.411 ' CG ' HG12 ' A' ' 24' ' ' VAL . 14.0 m-85 -118.93 132.76 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.551 ' HE3' ' CZ2' ' A' ' 32' ' ' TRP . 18.8 tptp -124.07 -48.4 1.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -126.42 41.97 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.5 23.52 67.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -134.7 -174.43 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.627 HG21 ' HE2' ' A' ' 95' ' ' LYS . 81.9 mt -105.72 84.14 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -54.13 -36.16 62.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -163.75 123.88 1.22 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.627 ' HE2' HG21 ' A' ' 92' ' ' ILE . 18.8 ptpt -115.58 148.4 39.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 2.3 m-85 -137.4 105.36 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.487 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.6 mp -118.24 119.44 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 117.93 137.89 5.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.519 HD13 ' CD ' ' A' ' 82' ' ' PRO . 39.1 mm -41.14 -62.32 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 111.111 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.7 mt -57.68 -51.84 65.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.458 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 11.8 mt-10 -47.59 -37.62 12.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.612 ' O ' HD22 ' A' ' 107' ' ' LEU . 1.8 m -90.56 28.75 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.452 ' HA3' HD22 ' A' ' 107' ' ' LEU . . . 97.56 -53.2 1.3 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.543 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.471 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 117.64 162.64 12.55 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.577 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -55.91 -16.81 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.339 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.577 ' N ' HD12 ' A' ' 105' ' ' ILE . 11.9 p30 -111.66 25.46 11.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.875 HD21 ' HB2' ' A' ' 112' ' ' LEU . 22.9 tp -71.2 125.91 28.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -78.02 165.44 24.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 51' ' ' HIS . 30.1 tp -66.24 -38.68 88.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -73.56 -44.64 56.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -48.71 -56.71 7.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.875 ' HB2' HD21 ' A' ' 107' ' ' LEU . 40.9 tp -55.45 -45.36 76.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.433 ' O ' HD11 ' A' ' 122' ' ' ILE . 37.7 tt0 -45.99 -42.34 13.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.452 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.0 t90 -60.11 -52.45 65.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.498 ' O ' HG23 ' A' ' 119' ' ' VAL . 35.2 mttm -40.43 -49.33 2.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.3 mt -68.52 -31.16 70.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 120' ' ' GLY . 13.9 t -72.72 -62.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -40.49 -35.08 0.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 115' ' ' LYS . 89.2 t -72.67 -39.11 60.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.506 ' O ' ' CZ2' ' A' ' 32' ' ' TRP . . . 122.67 8.35 6.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.513 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -75.78 -47.43 25.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.744 0.307 . . . . 0.0 111.08 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.433 HD11 ' O ' ' A' ' 113' ' ' GLU . 23.5 pt -132.9 179.89 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -118.69 99.89 7.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.3 p -99.66 147.02 25.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.583 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 1.4 ptmm? . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.583 ' CE1' ' HG3' ' A' ' 8' ' ' LYS . 13.5 m-85 -122.32 -72.68 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.09 40.25 95.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.84 159.33 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.9 tp -97.5 133.34 42.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.2 mmm-85 -120.76 177.94 4.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -135.28 138.85 43.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 20' ' ' TYR . 30.3 pt -132.51 168.42 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 p -99.51 177.92 5.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -58.05 -75.48 0.26 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.408 ' O ' ' OD1' ' A' ' 22' ' ' ASN . 40.9 m-20 -39.07 -34.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 20' ' ' TYR . 13.7 mm-40 -72.7 -40.19 66.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.754 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.9 t80 -33.74 -47.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.409 ' C ' ' N ' ' A' ' 23' ' ' GLU . 88.0 t -69.32 -69.45 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.147 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 18' ' ' ASN . 1.5 m120 -45.21 -21.18 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.587 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 74.9 mm-40 -100.14 -75.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.519 HG12 ' CG ' ' A' ' 87' ' ' TYR . 47.0 t -57.26 -54.93 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.5 m -63.38 -66.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.172 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -81.75 37.8 0.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -67.51 171.24 6.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.759 ' HB3' HD22 ' A' ' 31' ' ' LEU . 4.3 tp10 -50.96 147.25 5.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 23.0 tttp -56.82 137.39 54.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER 46.0 48.26 12.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.759 HD22 ' HB3' ' A' ' 28' ' ' GLU . 6.0 tp -122.72 140.48 52.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.555 ' CZ3' ' HG3' ' A' ' 93' ' ' GLU . 94.3 m95 -90.38 127.13 36.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.418 HG11 ' HA ' ' A' ' 24' ' ' VAL . 98.9 t -126.64 111.55 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.489 HG22 HG22 ' A' ' 86' ' ' VAL . 68.9 t -105.49 103.79 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.754 HD13 ' CD2' ' A' ' 20' ' ' TYR . 8.4 tt -96.07 143.62 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -131.86 124.85 30.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.703 HD12 ' HB ' ' A' ' 83' ' ' THR . 10.7 mt -95.44 146.24 24.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.436 ' CB ' ' HB2' ' A' ' 45' ' ' CYS . 21.0 p90 -146.0 139.6 26.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.682 ' CG ' HG23 ' A' ' 42' ' ' VAL . 13.3 ptm180 -110.71 23.15 14.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.6 m 40.51 25.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 39' ' ' ARG . 3.6 p -128.02 -30.16 2.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.682 HG23 ' CG ' ' A' ' 39' ' ' ARG . 2.3 t -81.15 136.79 49.71 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.646 0.736 . . . . 0.0 111.162 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.489 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 54.1 Cg_endo -69.75 -10.36 28.38 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' ' 46' ' ' LEU . 7.5 mtp -87.2 -59.4 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.436 ' HB2' ' CB ' ' A' ' 38' ' ' TYR . 16.4 p -37.63 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 44' ' ' MET . 69.5 mt -68.44 -64.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 44' ' ' MET . 6.4 p -55.45 -38.89 50.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.14 -41.98 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -58.09 -43.95 87.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -58.07 -46.29 85.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 109' ' ' LEU . 10.4 m-70 -61.65 -47.96 83.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.8 mt -45.37 -56.24 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 p -47.54 -39.03 15.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.4 t -77.73 -36.45 22.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.534 HD13 ' CD1' ' A' ' 116' ' ' LEU . 30.8 mt -69.04 -30.69 69.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.446 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -66.34 -47.25 74.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.094 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -75.12 -29.26 60.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.59 ' HE3' ' CZ ' ' A' ' 59' ' ' PHE . 29.3 ttpt -71.58 -47.2 56.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.59 ' CZ ' ' HE3' ' A' ' 58' ' ' LYS . 33.2 m-85 -121.61 94.42 48.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.671 0.748 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.5 Cg_endo -69.73 -35.14 13.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.707 2.271 . . . . 0.0 112.353 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -55.1 -44.68 75.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.5 m -78.38 125.09 28.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -75.24 141.52 43.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.446 ' CD2' ' HA ' ' A' ' 56' ' ' ALA . 98.0 m-85 -131.96 120.15 22.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.1 m -143.23 138.91 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.89 138.75 51.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.47 152.63 50.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 90.3 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.872 0.368 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 56.9 mt -85.26 155.36 60.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.566 0.698 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.0 Cg_endo -69.76 160.45 88.01 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.377 -0.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.703 ' HB ' HD12 ' A' ' 37' ' ' LEU . 87.6 m -138.37 124.04 19.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.4 mt -121.73 125.5 73.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.569 ' O ' HG22 ' A' ' 35' ' ' ILE . 38.9 m-85 -122.86 116.97 24.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.489 HG22 HG22 ' A' ' 34' ' ' VAL . 66.6 t -95.71 134.26 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.519 ' CG ' HG12 ' A' ' 24' ' ' VAL . 7.6 m-85 -122.52 133.77 54.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . 15.0 tptp -121.87 -58.39 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -121.46 46.22 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.34 19.44 78.27 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -134.93 176.43 8.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 77.6 mt -95.43 90.59 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 13.3 mm-40 -63.91 -32.99 74.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.89 123.22 1.21 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.459 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -114.7 139.88 49.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 3.1 m-85 -129.46 101.68 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.479 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.7 mp -117.42 121.45 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.85 134.7 6.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.484 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.454 HG23 ' SD ' ' A' ' 44' ' ' MET . 47.4 mt -42.81 -56.6 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 111.158 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mp -58.49 -53.92 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 16.9 mt-10 -47.16 -35.81 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.6 t -90.23 31.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.456 ' N ' ' HE3' ' A' ' 115' ' ' LYS . . . 89.25 -47.05 3.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.455 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 118.95 166.86 13.62 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.577 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -57.06 -13.71 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 111.12 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.577 ' N ' HD12 ' A' ' 105' ' ' ILE . 76.7 m-20 -93.28 -16.37 24.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.669 HD21 ' HB2' ' A' ' 112' ' ' LEU . 3.5 tp -34.96 121.25 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.1 157.48 16.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.497 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 4.9 tp -46.69 -42.22 16.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -70.06 -41.47 74.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -53.46 -54.85 31.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.669 ' HB2' HD21 ' A' ' 107' ' ' LEU . 35.1 tp -57.83 -47.35 82.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.718 ' O ' HD11 ' A' ' 122' ' ' ILE . 20.7 tt0 -44.25 -43.45 7.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.481 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.9 t90 -65.29 -53.66 40.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.456 ' HE3' ' N ' ' A' ' 103' ' ' GLY . 19.8 mttm -38.75 -51.14 1.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.534 ' CD1' HD13 ' A' ' 55' ' ' LEU . 13.3 mt -66.72 -31.52 72.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 114' ' ' TRP . 12.3 t -71.76 -60.57 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -41.16 -34.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 73.5 t -73.58 -37.62 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 118.65 10.34 8.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.514 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -78.67 -43.73 25.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.75 0.309 . . . . 0.0 111.09 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.718 HD11 ' O ' ' A' ' 113' ' ' GLU . 19.6 pt -132.13 -179.02 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -116.77 102.08 9.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.8 p -90.24 175.16 7.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.572 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.815 0.341 . . . . 0.0 110.922 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.572 ' CE1' ' HG3' ' A' ' 8' ' ' LYS . 6.2 m-85 -112.37 -176.99 3.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.26 37.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.539 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -174.99 166.76 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.478 HD21 ' HD3' ' A' ' 66' ' ' LYS . 22.9 tp -94.36 108.51 20.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.7 mtp85 -97.25 167.81 10.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -119.15 131.98 55.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 20' ' ' TYR . 42.7 pt -123.49 165.21 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.1 p -95.29 161.78 13.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 20' ' ' TYR . . . -48.25 -59.06 6.66 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -52.82 -30.85 35.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 20' ' ' TYR . 26.5 mm100 -76.87 -40.04 48.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.839 ' CE2' HD13 ' A' ' 35' ' ' ILE . 1.5 t80 -34.42 -45.85 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.917 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.4 t -69.41 -71.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -43.56 -23.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.625 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 45.4 mm-40 -96.87 -73.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 20' ' ' TYR . 39.3 t -59.15 -56.2 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 m -61.72 -70.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -81.94 39.13 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.715 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -63.58 153.81 34.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.448 ' HB3' HD22 ' A' ' 31' ' ' LEU . 4.7 tp10 -38.3 152.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 30' ' ' ASP . 2.3 tppp? -49.29 141.48 8.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' LYS . 3.1 m-20 33.84 50.46 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.715 HD23 ' HB1' ' A' ' 27' ' ' ALA . 11.5 tp -112.9 121.5 44.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.562 ' CE3' ' HA ' ' A' ' 121' ' ' ALA . 80.6 m95 -79.23 115.02 18.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.2 t -114.15 121.82 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.564 HG11 HD22 ' A' ' 116' ' ' LEU . 94.5 t -114.43 101.54 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.839 HD13 ' CE2' ' A' ' 20' ' ' TYR . 14.9 tt -95.12 152.44 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.535 ' CE1' ' HB3' ' A' ' 38' ' ' TYR . 9.7 t-80 -140.64 121.32 14.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.477 HD12 ' HB ' ' A' ' 83' ' ' THR . 9.0 mt -85.5 111.83 20.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.535 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 4.1 p90 -121.71 158.83 27.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -144.37 179.17 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 t -102.2 34.26 2.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 m -132.36 -29.93 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.479 HG12 ' H ' ' A' ' 44' ' ' MET . 12.0 t -91.57 123.81 62.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.651 0.739 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -22.57 31.83 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.595 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -73.49 -65.05 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 44' ' ' MET . 8.8 p -36.01 -33.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' MET . 31.6 mt -53.47 -64.25 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 44' ' ' MET . 5.9 p -57.13 -36.63 52.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.572 HG23 ' SD ' ' A' ' 44' ' ' MET . 93.1 t -55.88 -45.85 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.165 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.67 -44.78 93.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -49.22 -50.86 36.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.446 ' NE2' ' O ' ' A' ' 107' ' ' LEU . 69.9 m-70 -65.95 -46.84 76.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.574 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.462 HD12 HG12 ' A' ' 48' ' ' VAL . 35.6 mt -57.47 -27.0 62.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -69.57 -51.38 35.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.2 p -74.98 -28.99 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.159 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.5 mt -70.45 -19.08 62.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.77 -49.64 57.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.429 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 2.2 ptm85 -70.71 -38.91 73.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -57.58 -49.32 76.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.433 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 46.4 m-85 -111.93 84.16 5.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.649 0.738 . . . . 0.0 110.925 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -18.19 37.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.309 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -71.19 -43.1 68.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.6 m -85.05 130.64 34.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.177 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.411 ' HD2' ' CZ ' ' A' ' 9' ' ' PHE . 10.9 tttt -76.48 141.23 41.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -132.79 116.72 16.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.7 m -134.41 142.26 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.478 ' HD3' HD21 ' A' ' 12' ' ' LEU . 16.5 pttt -119.25 130.82 55.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.61 139.54 45.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.527 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 36.9 mm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.504 ' HB3' HG23 ' A' ' 97' ' ' ILE . 1.8 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.858 0.361 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.549 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 31.1 mt -34.99 152.83 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.585 0.707 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.4 Cg_endo -69.76 164.3 79.57 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.323 -0.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.491 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 33.5 m -134.57 130.64 36.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.1 mt -130.66 135.98 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.491 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 67.3 m-85 -134.84 121.89 21.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.523 HG22 HG22 ' A' ' 34' ' ' VAL . 97.6 t -100.74 134.98 38.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.484 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 26.7 m-85 -127.3 136.65 52.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.512 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -122.41 -60.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -117.47 43.16 2.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.54 29.79 54.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.484 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 58.5 mt-30 -140.79 -176.97 4.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.756 0.312 . . . . 0.0 110.935 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 86.7 mt -102.31 89.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -60.58 -33.86 73.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -172.08 124.8 1.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -110.34 155.96 21.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -139.52 108.09 5.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.504 HG23 ' HB3' ' A' ' 80' ' ' CYS . 4.8 mp -121.73 126.18 74.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.41 130.06 6.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.661 HG22 ' HA2' ' A' ' 104' ' ' GLY . 84.6 mt -38.49 -59.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 111.108 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.0 mt -54.14 -55.41 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.443 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 9.5 mt-10 -47.1 -37.54 9.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 28.0 m -88.93 28.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.505 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 90.69 -43.2 2.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.661 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 112.15 176.72 19.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.656 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -59.75 -19.4 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.825 0.345 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.656 ' N ' HD12 ' A' ' 105' ' ' ILE . 43.1 m-20 -98.77 25.19 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.684 HD11 ' HB2' ' A' ' 112' ' ' LEU . 54.2 tp -60.42 109.39 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -84.95 152.88 23.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 47.9 tp -49.93 -40.09 42.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -73.29 -49.4 27.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -48.8 -57.43 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.684 ' HB2' HD11 ' A' ' 107' ' ' LEU . 51.9 tp -58.81 -46.34 87.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.525 ' O ' HD11 ' A' ' 122' ' ' ILE . 28.5 tt0 -44.62 -43.57 8.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.496 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.9 t90 -61.93 -56.27 20.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.443 ' HE3' ' N ' ' A' ' 103' ' ' GLY . 20.3 mttm -38.11 -52.17 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.564 HD22 HG11 ' A' ' 34' ' ' VAL . 13.5 mt -64.11 -32.59 74.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 114' ' ' TRP . 10.6 t -70.97 -60.14 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -42.64 -33.71 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 53.2 t -70.92 -38.06 70.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.532 ' O ' ' CZ2' ' A' ' 32' ' ' TRP . . . 121.46 8.86 7.44 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.562 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -77.51 -51.91 9.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.525 HD11 ' O ' ' A' ' 113' ' ' GLU . 35.3 pt -125.32 -179.16 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 123' ' ' GLN . 2.7 pp0? -123.91 94.52 4.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 125' ' ' ASP . 28.5 t -102.98 133.42 48.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 124' ' ' SER . 5.1 m-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.9 p -134.85 159.17 42.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -114.02 -62.01 1.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.5 92.0 0.25 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 p -68.61 108.58 3.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 m -81.01 138.71 36.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.21 141.5 34.26 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -118.77 -36.57 3.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.913 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -103.33 -177.45 3.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.24 37.38 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -170.22 165.01 9.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.5 tp -95.53 121.59 37.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.7 mtm-85 -116.37 167.3 11.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -119.11 143.86 46.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 20' ' ' TYR . 29.7 pt -129.0 161.53 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -87.42 176.32 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.27 -64.8 3.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -51.34 -23.71 3.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.758 0.314 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -80.8 -34.69 33.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.572 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.7 t80 -41.43 -46.05 3.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.9 t -72.73 -69.33 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -46.66 -20.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -95.25 -74.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.56 HG22 HG11 ' A' ' 33' ' ' VAL . 14.1 t -63.15 -64.95 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.4 m -48.43 -56.82 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -84.3 25.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 24' ' ' VAL . . . -67.59 172.01 5.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.456 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 4.8 tp10 -56.82 174.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -79.59 -69.24 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -84.92 45.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 12.3 tp -122.53 147.16 46.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.536 ' CZ3' ' HG3' ' A' ' 93' ' ' GLU . 80.0 m95 -113.3 107.38 15.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.56 HG11 HG22 ' A' ' 24' ' ' VAL . 66.9 t -100.53 113.63 36.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.577 HG11 HD22 ' A' ' 116' ' ' LEU . 85.6 t -109.95 107.33 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.572 HD13 ' CD2' ' A' ' 20' ' ' TYR . 12.2 tt -97.92 147.07 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.567 ' CE1' ' HB ' ' A' ' 48' ' ' VAL . 6.0 t-80 -138.86 106.65 5.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.499 HD12 ' HB ' ' A' ' 83' ' ' THR . 6.6 mt -73.16 122.78 22.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -122.0 151.81 40.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -138.08 131.46 30.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.4 t -56.54 -14.4 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 p -85.75 -39.54 17.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 t -88.33 122.52 69.6 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.625 0.726 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.537 ' HA ' HD12 ' A' ' 46' ' ' LEU . 53.7 Cg_endo -69.78 -44.28 2.15 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.519 ' HE1' ' O ' ' A' ' 104' ' ' GLY . 0.0 OUTLIER -43.55 -55.92 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' VAL . 33.5 m -48.94 -58.46 4.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 43' ' ' PRO . 61.0 mt -36.49 -48.01 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.2 t -67.26 -41.75 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 39.9 t -58.65 -32.38 46.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -69.65 -36.9 76.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -56.19 -44.23 79.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.52 ' HB3' HD12 ' A' ' 109' ' ' LEU . 34.4 m-70 -67.79 -39.71 84.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.608 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.54 -22.74 67.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.6 t -70.03 -45.01 68.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.475 ' CG1' HD11 ' A' ' 109' ' ' LEU . 7.1 p -85.27 -27.46 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.7 mt -71.61 -16.08 62.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.971 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.05 -40.0 54.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 1.1 ptm85 -81.18 -21.89 39.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -77.79 -41.52 37.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -124.82 86.36 56.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -19.91 35.29 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.669 2.246 . . . . 0.0 112.334 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -66.69 -43.95 83.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 32' ' ' TRP . 39.3 m -80.53 125.21 29.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.12 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -79.97 115.12 19.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -104.74 135.75 45.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.1 m -153.03 151.7 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.01 146.71 50.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.58 147.96 32.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.2 mt -89.23 144.42 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.548 ' O ' HG12 ' A' ' 69' ' ' VAL . 12.9 t -83.81 33.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -82.71 93.18 7.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 t 67.67 35.39 4.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 4.5 m -101.91 -44.76 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.444 HG22 ' N ' ' A' ' 74' ' ' GLU . 5.6 mm -121.39 156.57 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.444 ' N ' HG22 ' A' ' 73' ' ' ILE . 26.9 mt-10 -97.35 -67.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -38.55 -54.14 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -41.9 105.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.94 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.525 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 21.1 p80 -110.74 -53.27 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.525 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 7.5 t70 -170.0 166.26 9.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.8 t30 54.46 49.26 18.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.5 m -125.93 -50.33 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.524 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 34.0 mt -71.35 155.9 92.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.573 0.701 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.72 163.44 81.72 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.377 -0.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.614 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 21.4 m -139.8 126.44 20.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.181 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 77.8 mt -127.24 136.05 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.614 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 62.1 m-85 -130.13 137.77 50.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.467 HG13 HG22 ' A' ' 34' ' ' VAL . 16.6 t -115.01 117.12 54.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.535 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 35.9 m-85 -115.94 128.88 56.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -109.18 -60.87 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -124.31 43.31 3.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.43 25.06 44.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.478 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.535 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 9.7 pt20 -131.13 -177.65 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.0 mt -106.06 83.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.536 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 6.0 mm-40 -54.96 -39.68 69.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -168.18 132.45 2.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.463 ' HG3' ' CD1' ' A' ' 97' ' ' ILE . 0.7 OUTLIER -122.6 149.97 43.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.556 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.6 OUTLIER -138.0 113.87 9.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.463 ' CD1' ' HG3' ' A' ' 95' ' ' LYS . 5.2 mp -121.31 125.92 74.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.81 141.0 8.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.48 HG22 ' HA2' ' A' ' 104' ' ' GLY . 78.8 mt -50.6 -48.12 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 111.163 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.712 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.2 mp -64.45 -51.63 65.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -53.69 -28.83 35.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 1.9 m -96.01 23.26 6.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.41 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 98.7 -55.91 1.01 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.442 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.519 ' O ' ' HE1' ' A' ' 44' ' ' MET . . . 119.69 166.96 13.47 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.652 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -55.32 -14.48 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 111.142 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.652 ' N ' HD12 ' A' ' 105' ' ' ILE . 10.5 p30 -109.45 23.27 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.508 HD21 ' HB2' ' A' ' 112' ' ' LEU . 9.6 tp -67.28 132.1 47.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -91.36 166.54 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.52 HD12 ' HB3' ' A' ' 51' ' ' HIS . 14.2 tp -66.78 -27.95 68.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -80.91 -44.17 18.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -48.56 -54.74 13.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.508 ' HB2' HD21 ' A' ' 107' ' ' LEU . 49.5 tp -64.88 -41.29 95.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.473 ' O ' HD11 ' A' ' 122' ' ' ILE . 40.2 tt0 -52.47 -20.49 2.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.481 ' O ' ' N ' ' A' ' 117' ' ' SER . 18.1 t90 -88.75 -52.47 5.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.563 ' O ' HG23 ' A' ' 119' ' ' VAL . 23.9 mttp -38.87 -51.88 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.577 HD22 HG11 ' A' ' 34' ' ' VAL . 12.8 mt -65.5 -31.39 72.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.4 t -70.48 -58.33 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -47.09 -24.67 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 115' ' ' LYS . 95.6 t -81.38 -37.15 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.074 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 123.22 1.33 9.41 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.25 -39.85 68.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.768 0.318 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.473 HD11 ' O ' ' A' ' 113' ' ' GLU . 36.3 pt -140.59 179.97 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.526 ' NE2' ' H ' ' A' ' 123' ' ' GLN . 1.7 pm0 -122.94 91.21 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.2 t -85.58 178.27 7.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -100.76 -30.69 11.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.448 HD23 ' H ' ' A' ' 126' ' ' LEU . 0.6 OUTLIER -40.52 136.53 1.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -39.61 123.57 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.78 165.9 15.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 130' ' ' SER . 33.4 m120 -94.46 156.2 16.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 129' ' ' ASN . 72.2 m -35.81 -47.51 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 148.76 87.22 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -39.23 6.87 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.368 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.6 t -122.02 -51.68 2.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.3 t -56.97 -55.82 29.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m -133.44 139.79 46.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.863 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t -157.66 149.12 21.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.14 -130.99 1.68 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 m -114.27 163.08 15.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.879 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -139.63 173.13 11.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.51 139.66 2.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -108.48 -48.14 3.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.798 0.332 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -99.67 -176.05 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.94 33.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -174.85 143.58 0.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.0 tp -74.06 125.11 27.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -108.42 -176.04 2.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.513 ' HB2' ' HZ1' ' A' ' 66' ' ' LYS . 1.6 tm-20 -137.15 130.12 30.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' ' 20' ' ' TYR . 26.9 pt -125.89 162.08 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.53 168.39 10.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.41 -64.0 4.7 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -45.99 -30.23 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.321 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 20' ' ' TYR . 55.8 mm-40 -80.99 -35.79 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.695 ' CD2' HD13 ' A' ' 35' ' ' ILE . 2.8 t80 -34.26 -45.25 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.1 t -72.67 -59.23 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.168 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -54.96 -14.26 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -105.15 -70.54 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.631 HG22 HG11 ' A' ' 33' ' ' VAL . 61.3 t -65.62 -71.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 83.4 m -40.86 -65.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -84.04 31.99 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -58.87 155.06 13.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.494 ' HB3' HD22 ' A' ' 31' ' ' LEU . 25.6 tt0 -44.35 156.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -66.17 131.44 46.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 57.08 42.72 25.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 28' ' ' GLU . 15.5 tp -115.4 136.62 52.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.584 ' CZ2' ' HE2' ' A' ' 88' ' ' LYS . 87.9 m95 -91.58 104.93 17.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.631 HG11 HG22 ' A' ' 24' ' ' VAL . 76.8 t -106.12 114.47 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.126 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.542 HG11 HD22 ' A' ' 116' ' ' LEU . 59.9 t -113.08 99.76 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.183 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.695 HD13 ' CD2' ' A' ' 20' ' ' TYR . 11.4 tt -92.24 149.76 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.474 ' CE1' ' HB ' ' A' ' 48' ' ' VAL . 7.8 t-80 -140.34 112.73 7.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.828 HD22 HG22 ' A' ' 69' ' ' VAL . 7.4 mt -76.18 88.97 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -83.8 152.97 24.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.54 ' HG3' HD13 ' A' ' 81' ' ' LEU . 14.1 mmm180 -146.79 141.67 26.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.2 t -66.82 -44.39 81.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.5 m -53.49 -39.72 64.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 77' ' ' HIS . 5.9 t -88.74 125.06 64.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.587 0.708 . . . . 0.0 111.177 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -50.56 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.713 2.275 . . . . 0.0 112.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.93 -57.48 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.1 m -38.11 -58.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.1 mt -38.0 -51.92 1.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.96 -42.79 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.474 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 11.5 t -60.94 -36.33 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.25 -38.57 75.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -57.8 -50.08 74.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -65.89 -40.04 91.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.557 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.4 mt -56.41 -50.62 71.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.8 t -45.3 -43.11 10.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.2 t -78.34 -45.6 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.853 HD21 ' HG2' ' A' ' 113' ' ' GLU . 11.9 mt -60.08 -11.24 5.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.64 -38.88 17.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -81.78 -18.6 43.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 tttt -84.6 -44.4 13.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -115.71 92.11 32.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 -26.43 27.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.268 . . . . 0.0 112.357 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -59.94 -52.62 64.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 85.6 m -70.35 125.48 26.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.116 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -87.78 97.15 10.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -86.66 132.3 33.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.1 m -148.64 147.76 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.513 ' HZ1' ' HB2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -127.99 144.53 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.98 129.85 21.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.084 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 88.0 mt -73.15 125.81 32.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.828 HG22 HD22 ' A' ' 37' ' ' LEU . 19.2 t -76.89 55.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -83.29 -45.26 14.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.0 m -100.44 -44.59 5.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.3 m -38.1 -71.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.48 ' CG2' ' HB2' ' A' ' 76' ' ' TYR . 96.6 mt -128.93 115.92 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.47 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 13.6 pt-20 -61.96 -46.49 89.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.47 ' CD2' ' HG3' ' A' ' 74' ' ' GLU . 50.3 m170 -84.0 50.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.48 ' HB2' ' CG2' ' A' ' 73' ' ' ILE . 2.7 t80 -132.85 90.86 2.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.549 ' O ' HD12 ' A' ' 81' ' ' LEU . 3.9 p80 -123.15 -67.41 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -132.07 -32.67 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -42.59 -34.3 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.1 m -132.61 38.44 3.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 77' ' ' HIS . 15.2 mt -143.27 153.53 59.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.73 169.47 63.07 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.333 -0.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.1 m -146.79 138.37 24.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 71.2 mt -133.95 139.27 48.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -132.23 133.83 44.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.403 HG13 HG22 ' A' ' 34' ' ' VAL . 23.7 t -112.77 127.54 69.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -120.48 134.42 55.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.584 ' HE2' ' CZ2' ' A' ' 32' ' ' TRP . 8.7 tppt? -103.92 -59.87 1.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -131.32 22.88 4.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 116.2 6.34 15.99 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -122.97 154.06 38.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 0.0 110.952 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.4 mt -77.91 93.52 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -67.78 -28.68 67.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.39 139.45 5.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -131.81 149.04 52.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -134.38 99.62 4.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.441 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.9 mp -113.4 118.28 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 122.4 147.86 7.59 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.421 HG22 ' HA2' ' A' ' 104' ' ' GLY . 22.5 mm -50.79 -54.83 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.694 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.0 mp -65.93 -46.35 88.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 13.3 mt-10 -54.12 -30.48 48.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.65 ' O ' HD22 ' A' ' 107' ' ' LEU . 38.6 t -87.34 -15.29 38.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.558 ' HA3' HD22 ' A' ' 107' ' ' LEU . . . 131.1 -35.51 2.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.421 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 106.86 155.49 20.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.475 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.858 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -52.17 -23.15 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.133 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.858 ' N ' HD12 ' A' ' 105' ' ' ILE . 0.7 OUTLIER -104.1 26.71 8.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.681 HD21 ' HB2' ' A' ' 112' ' ' LEU . 29.2 tp -66.37 126.52 29.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -83.78 154.08 23.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.3 tp -58.14 -35.62 71.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.48 ' O ' ' CD1' ' A' ' 126' ' ' LEU . 12.3 pt-20 -76.26 -38.1 56.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -56.31 -53.31 58.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.681 ' HB2' HD21 ' A' ' 107' ' ' LEU . 30.1 tp -59.59 -40.41 87.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.853 ' HG2' HD21 ' A' ' 55' ' ' LEU . 36.6 mt-10 -48.59 -31.03 6.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.8 t90 -74.31 -57.03 4.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.404 ' O ' HG23 ' A' ' 119' ' ' VAL . 33.6 mttm -38.72 -51.72 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.542 HD22 HG11 ' A' ' 34' ' ' VAL . 13.0 mt -64.97 -31.22 72.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 120' ' ' GLY . 1.6 t -73.63 -61.57 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -40.81 -26.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 117' ' ' SER . 82.2 t -83.09 -37.91 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 121.62 -1.98 11.15 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.56 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -67.02 -40.24 87.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.744 0.307 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.473 HD11 ' O ' ' A' ' 113' ' ' GLU . 35.6 pt -140.05 -177.31 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -123.64 103.83 8.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 59.8 p -102.87 161.53 13.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -80.53 -41.1 24.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 110' ' ' GLU . 12.4 mt -44.31 136.66 3.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 126' ' ' LEU . 32.7 mt-10 -36.7 141.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -73.58 -178.72 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -88.7 147.76 24.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 35.0 m -70.55 100.9 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 163.51 -179.68 38.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -19.13 36.21 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.254 . . . . 0.0 112.336 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.1 t 43.31 40.13 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.8 t -46.6 -54.8 8.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 t -50.49 108.06 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.1 p 39.09 42.84 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.835 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.67 147.37 6.74 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.458 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.9 p -81.08 140.93 34.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -131.82 148.4 52.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.55 161.07 54.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -108.54 -39.88 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -111.09 -175.53 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.54 40.84 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.489 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.14 179.59 2.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.9 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.6 tp -111.0 136.27 50.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -130.88 -176.66 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -131.69 141.57 49.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 20' ' ' TYR . 39.5 pt -129.94 163.58 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.2 m -90.93 176.57 6.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.49 -65.35 3.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -48.03 -25.49 1.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.333 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 20' ' ' TYR . 15.3 mm100 -82.11 -38.5 24.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.598 ' CE2' HD13 ' A' ' 35' ' ' ILE . 1.8 t80 -36.13 -39.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.537 HG13 ' CB ' ' A' ' 25' ' ' THR . 64.2 t -77.75 -71.23 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -43.82 -22.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' VAL . 5.3 mm-40 -94.42 -72.01 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.585 HG22 HG11 ' A' ' 33' ' ' VAL . 24.1 t -69.54 -71.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.537 ' CB ' HG13 ' A' ' 21' ' ' VAL . 44.1 m -40.85 -66.26 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -84.82 32.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.521 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -60.17 163.8 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.08 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -46.14 171.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 30' ' ' ASP . 19.6 tttp -65.08 136.49 56.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER 34.44 46.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.521 HD23 ' HB1' ' A' ' 27' ' ' ALA . 5.0 tp -109.32 129.0 55.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.551 ' CE3' ' HA ' ' A' ' 121' ' ' ALA . 81.0 m95 -79.96 134.67 36.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.585 HG11 HG22 ' A' ' 24' ' ' VAL . 85.6 t -137.49 113.02 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.148 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.0 t -104.19 108.22 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.598 HD13 ' CE2' ' A' ' 20' ' ' TYR . 20.5 tt -98.58 148.97 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.449 ' CE1' ' HB ' ' A' ' 48' ' ' VAL . 22.6 t-80 -138.55 120.18 15.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mt -92.15 104.66 17.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.578 ' CZ ' HD11 ' A' ' 68' ' ' ILE . 23.0 p90 -91.5 163.39 14.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.473 ' HD3' ' CD1' ' A' ' 81' ' ' LEU . 19.9 mtp180 -152.61 132.21 13.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.5 p -58.1 -30.28 66.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 t -72.15 -33.88 68.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.407 HG21 HD13 ' A' ' 81' ' ' LEU . 9.4 t -87.88 119.62 70.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 111.141 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -46.85 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.362 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -51.79 -52.08 51.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 44' ' ' MET . 25.6 m -35.31 -56.31 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.9 mt -44.23 -47.83 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 67.9 t -59.04 -49.22 84.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.449 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 48.5 t -54.28 -41.3 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.545 ' HA ' HD12 ' A' ' 52' ' ' LEU . 31.0 m-20 -63.71 -38.56 91.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -54.08 -50.69 66.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.541 ' HB3' HD12 ' A' ' 109' ' ' LEU . 14.6 m-70 -67.52 -48.79 66.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.548 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 49' ' ' ASN . 30.2 mt -42.77 -34.92 1.01 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -65.31 -45.82 82.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.5 t -72.98 -38.03 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.8 mt -69.1 -25.96 64.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.36 -44.27 75.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -79.3 -24.92 42.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -71.84 -39.67 69.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -121.79 87.38 46.4 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.68 0.752 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -18.64 37.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.381 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -71.33 -40.35 70.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.8 m -87.25 134.32 33.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HB3' HG22 ' A' ' 33' ' ' VAL . 10.0 tttt -81.63 143.85 31.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -134.26 129.72 36.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.414 HG23 HG13 ' A' ' 35' ' ' ILE . 27.6 m -147.97 169.25 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -144.65 147.56 33.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.33 145.1 31.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.578 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 7.9 mm -75.56 146.2 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' ASN . 89.7 t -64.41 -43.28 97.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.468 ' H ' HG22 ' A' ' 68' ' ' ILE . 13.7 t-20 -35.27 113.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 t 66.07 47.83 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 49.3 t -130.19 -60.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.815 HG22 ' H ' ' A' ' 75' ' ' HIS . 25.2 mt -133.62 135.47 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -95.63 -4.25 44.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.815 ' H ' HG22 ' A' ' 73' ' ' ILE . 12.2 m-70 -97.1 36.24 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.53 ' CE2' ' HB3' ' A' ' 80' ' ' CYS . 4.1 m-85 -127.06 96.05 4.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.523 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 14.1 p-80 -93.9 -47.86 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.843 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.523 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 21.6 t0 -173.51 168.75 4.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 47.78 51.48 14.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.53 ' HB3' ' CE2' ' A' ' 76' ' ' TYR . 7.0 m -127.62 -31.28 2.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.542 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 15.2 mt -95.36 152.33 39.25 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.855 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.79 167.1 72.31 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.292 -0.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.443 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 65.1 m -137.06 127.11 25.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.6 mt -126.83 134.95 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.443 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 61.6 m-85 -128.2 122.98 33.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.2 t -102.0 126.19 56.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 23.6 m-85 -121.89 132.98 54.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.548 ' HG3' ' CZ2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -109.54 -63.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -124.14 39.79 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.06 22.57 32.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.528 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 10.3 pt20 -128.83 -177.69 4.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.77 0.319 . . . . 0.0 110.897 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.421 HG22 ' O ' ' A' ' 92' ' ' ILE . 49.9 mt -106.73 83.45 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.5 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 57.0 mm-40 -51.16 -41.65 60.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.54 136.19 4.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -118.98 145.13 46.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.931 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -132.33 98.47 4.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 80' ' ' CYS . 5.2 mp -114.24 115.18 48.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 124.24 148.68 7.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.417 HG22 ' HA2' ' A' ' 104' ' ' GLY . 13.7 mm -53.75 -57.04 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.639 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.4 mp -64.41 -40.78 90.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 10.8 mt-10 -55.23 -25.52 33.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.485 ' O ' HD22 ' A' ' 107' ' ' LEU . 14.3 t -102.86 26.81 7.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.499 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 90.76 -31.91 5.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.417 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 106.44 170.41 22.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.482 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.589 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -60.17 -11.49 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 111.124 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.589 ' N ' HD12 ' A' ' 105' ' ' ILE . 7.3 p30 -105.8 14.48 28.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.499 HD13 ' HA3' ' A' ' 103' ' ' GLY . 18.7 tp -56.12 112.72 1.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -75.12 168.24 20.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.541 HD12 ' HB3' ' A' ' 51' ' ' HIS . 12.9 tp -66.73 -30.66 70.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -80.73 -47.14 14.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -49.02 -47.42 44.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.505 HD23 ' HB2' ' A' ' 51' ' ' HIS . 48.9 tp -62.49 -37.15 84.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.452 ' O ' HD11 ' A' ' 122' ' ' ILE . 27.2 tt0 -53.91 -39.87 66.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.489 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.7 t90 -68.91 -54.03 17.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -38.92 -49.58 1.68 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.8 mt -68.9 -30.76 69.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 120' ' ' GLY . 1.4 t -72.11 -60.55 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -41.96 -25.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 117' ' ' SER . 83.3 t -83.35 -36.39 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 121.94 -2.09 10.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.451 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.551 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -66.04 -37.56 86.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.319 . . . . 0.0 111.103 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.452 HD11 ' O ' ' A' ' 113' ' ' GLU . 35.2 pt -145.61 179.04 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -119.59 100.9 7.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 46.0 p -95.71 157.15 16.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.11 -43.35 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.5 mt -39.99 128.72 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -37.32 141.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -112.57 113.39 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -75.08 -58.67 3.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 57.2 p -64.39 -25.16 67.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 75.7 -177.39 49.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 123.77 10.41 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.6 t -75.34 -62.53 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 91.6 p -67.31 117.95 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.828 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.426 -0.269 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 m -111.16 150.15 29.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.383 . . . . 0.0 110.898 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 t -120.38 42.49 2.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.25 -120.44 0.54 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.445 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -130.39 111.53 12.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.355 . . . . 0.0 110.875 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -60.69 135.98 57.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.25 139.41 2.87 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -121.34 -39.88 2.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.943 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -105.88 -179.66 4.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.11 39.22 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -174.52 170.86 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.431 HD21 ' HD3' ' A' ' 66' ' ' LYS . 46.6 tp -104.84 123.03 46.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -113.85 -178.61 3.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -132.22 130.23 40.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 20' ' ' TYR . 25.5 pt -120.96 164.02 17.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 m -88.13 178.7 6.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.75 -68.24 1.73 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -46.16 -25.99 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.754 0.312 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -80.7 -35.67 33.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.984 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.746 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.2 t80 -38.1 -47.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.517 HG13 ' CB ' ' A' ' 25' ' ' THR . 73.7 t -70.16 -66.55 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -44.7 -21.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.533 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 60.2 mm-40 -99.54 -74.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.523 HG22 HG11 ' A' ' 33' ' ' VAL . 31.1 t -57.85 -55.33 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.517 ' CB ' HG13 ' A' ' 21' ' ' VAL . 33.0 m -62.32 -65.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -83.39 34.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -60.32 174.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.597 ' HB2' HD22 ' A' ' 31' ' ' LEU . 3.8 mm-40 -53.05 -174.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 30' ' ' ASP . 11.9 tttm -73.43 131.65 42.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 29' ' ' LYS . 2.6 p30 35.5 39.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.597 HD22 ' HB2' ' A' ' 28' ' ' GLU . 5.9 tp -93.89 140.41 29.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.575 ' CZ2' ' HG3' ' A' ' 88' ' ' LYS . 81.0 m95 -93.74 119.69 33.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.523 HG11 HG22 ' A' ' 24' ' ' VAL . 61.0 t -119.96 111.62 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.52 HG11 HD22 ' A' ' 116' ' ' LEU . 84.9 t -103.47 105.68 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.746 HD13 ' CD2' ' A' ' 20' ' ' TYR . 12.2 tt -99.61 157.07 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.559 ' CE1' ' HB ' ' A' ' 48' ' ' VAL . 3.7 t-80 -148.01 118.77 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mt -85.19 95.39 9.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.605 ' OH ' HD11 ' A' ' 68' ' ' ILE . 15.4 p90 -83.93 156.67 22.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.552 ' HG3' HD13 ' A' ' 81' ' ' LEU . 5.6 mmm180 -148.52 124.19 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -53.15 -35.1 59.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.2 m -66.13 -31.36 72.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 t -95.4 123.26 57.21 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.61 0.719 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -45.74 1.49 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.592 ' CG ' HG23 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -47.76 -48.31 30.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 73.9 m -50.05 -54.6 19.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.0 mt -41.13 -49.36 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.6 t -64.06 -40.36 88.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 39.2 t -58.3 -38.17 67.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -69.45 -37.43 77.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -56.3 -42.63 77.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.568 ' HB2' HD23 ' A' ' 112' ' ' LEU . 34.8 m-70 -76.34 -49.99 15.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.603 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.3 mt -42.25 -34.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -67.3 -48.72 66.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.8 t -68.53 -38.79 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.496 HD13 ' CD1' ' A' ' 116' ' ' LEU . 17.0 mt -67.68 -24.44 65.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.76 -47.37 66.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -74.26 -27.73 60.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -70.73 -47.83 57.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -116.26 86.56 17.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.655 0.741 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -19.12 36.4 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.344 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -68.3 -43.74 77.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.7 m -84.4 128.46 34.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.8 tttp -72.33 141.85 48.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -133.12 119.58 20.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.7 m -139.2 157.27 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.431 ' HD3' HD21 ' A' ' 12' ' ' LEU . 22.3 pttt -135.25 142.01 45.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.78 133.05 28.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.605 HD11 ' OH ' ' A' ' 38' ' ' TYR . 75.0 mt -73.46 142.87 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.693 ' O ' HG12 ' A' ' 69' ' ' VAL . 61.1 t -81.55 45.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.12 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.447 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 5.3 p-10 -84.79 86.83 7.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.6 m 62.14 38.95 13.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.43 -62.11 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.583 HG22 ' H ' ' A' ' 75' ' ' HIS . 8.7 mm -108.74 147.78 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -88.32 -29.09 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.583 ' H ' HG22 ' A' ' 73' ' ' ILE . 8.5 m-70 -82.43 38.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.504 ' CD1' ' HB ' ' A' ' 73' ' ' ILE . 9.1 m-85 -130.84 84.08 2.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.436 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 8.8 p80 -93.9 -54.16 3.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 38.8 t70 -174.25 169.79 3.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 54.34 48.92 19.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.637 ' O ' HG23 ' A' ' 97' ' ' ILE . 3.0 t -134.41 -41.65 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.552 HD13 ' HG3' ' A' ' 39' ' ' ARG . 14.7 mt -83.34 152.44 64.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.562 0.696 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.74 174.03 42.15 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.389 -0.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.486 HG21 ' CE2' ' A' ' 85' ' ' PHE . 54.2 m -146.35 130.61 17.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.9 mt -131.23 111.04 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.486 ' CE2' HG21 ' A' ' 83' ' ' THR . 45.4 m-85 -108.17 127.51 53.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 46.0 t -107.01 128.1 62.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.457 ' CZ ' HG12 ' A' ' 92' ' ' ILE . 43.6 m-85 -124.61 134.04 53.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.575 ' HG3' ' CZ2' ' A' ' 32' ' ' TRP . 0.8 OUTLIER -114.99 -58.89 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -124.5 36.36 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 92.71 7.94 62.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -120.71 153.37 37.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.923 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.457 HG12 ' CZ ' ' A' ' 87' ' ' TYR . 72.7 mt -79.86 91.27 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.529 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 36.7 mm-40 -57.14 -38.17 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -168.06 133.97 3.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -116.36 142.99 46.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.45 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 3.9 m-85 -129.56 87.93 2.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 80' ' ' CYS . 5.3 mp -105.16 118.94 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 113.12 128.45 4.88 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.592 HG23 ' CG ' ' A' ' 44' ' ' MET . 65.1 mt -35.55 -50.14 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.768 0.318 . . . . 0.0 111.145 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.4 mt -64.42 -52.0 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 97' ' ' ILE . 29.5 mt-10 -51.96 -36.87 50.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.679 ' O ' HD22 ' A' ' 107' ' ' LEU . 2.0 m -85.67 25.56 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.618 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 98.34 -51.04 1.27 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.535 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.48 ' O ' ' HE2' ' A' ' 44' ' ' MET . . . 126.36 163.72 11.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.822 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -56.12 -22.47 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 111.133 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.822 ' N ' HD12 ' A' ' 105' ' ' ILE . 14.1 p30 -97.78 19.05 14.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.679 HD22 ' O ' ' A' ' 102' ' ' CYS . 60.2 tp -58.18 111.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -77.65 162.75 26.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.498 ' CD1' ' ND1' ' A' ' 51' ' ' HIS . 23.4 tp -58.14 -35.21 71.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -77.86 -50.89 11.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -44.79 -53.97 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.606 HD13 HD21 ' A' ' 107' ' ' LEU . 47.5 tp -57.9 -38.81 76.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.579 ' O ' HD11 ' A' ' 122' ' ' ILE . 3.1 tm-20 -53.53 -36.55 61.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.481 ' O ' ' N ' ' A' ' 117' ' ' SER . 16.6 t90 -73.16 -51.3 18.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.478 ' O ' HG23 ' A' ' 119' ' ' VAL . 15.6 mtpp -39.43 -48.73 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.52 HD22 HG11 ' A' ' 34' ' ' VAL . 16.8 mt -69.63 -30.59 68.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.4 t -71.5 -58.97 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.405 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . 3.2 pt-20 -43.94 -22.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 115' ' ' LYS . 95.9 t -83.88 -38.48 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 124.81 -1.36 8.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.56 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -68.97 -41.45 77.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.738 0.304 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.579 HD11 ' O ' ' A' ' 113' ' ' GLU . 32.2 pt -138.25 -177.2 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -120.66 102.63 8.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.975 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.6 p -86.09 166.11 16.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -89.79 -38.04 14.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 55.4 mt -50.07 112.17 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -42.17 144.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -51.1 120.6 5.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -119.2 41.73 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 29.7 t -59.35 147.33 36.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -98.36 149.35 19.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.643 2.229 . . . . 0.0 112.335 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 134' ' ' SER . 22.8 t -52.46 104.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 133' ' ' SER . 47.1 p 37.3 46.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -149.69 116.32 5.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -46.11 152.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.87 -175.85 47.03 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -66.99 128.84 37.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.342 . . . . 0.0 110.893 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 p -136.68 111.12 8.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.24 163.4 9.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -112.87 -41.34 3.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -100.36 -178.31 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.39 41.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -173.52 155.8 2.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.2 tp -83.28 117.82 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -103.85 -178.7 3.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -140.6 134.29 30.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.617 HD12 ' HA ' ' A' ' 20' ' ' TYR . 26.4 pt -124.6 175.6 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.0 p -105.15 178.48 4.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.13 -60.01 9.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -56.12 -28.2 56.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -78.48 -35.72 46.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.617 ' HA ' HD12 ' A' ' 15' ' ' ILE . 1.4 t80 -40.49 -45.21 2.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.413 ' C ' ' N ' ' A' ' 23' ' ' GLU . 90.5 t -71.6 -72.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -44.0 -22.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.453 ' O ' ' CA ' ' A' ' 27' ' ' ALA . 5.6 mm-40 -94.9 -73.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.408 HG22 HG11 ' A' ' 33' ' ' VAL . 22.7 t -61.77 -63.02 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.1 m -49.86 -60.1 3.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -87.2 25.51 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.453 ' CA ' ' O ' ' A' ' 23' ' ' GLU . . . -55.27 161.92 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.073 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -48.9 160.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' ASP . 11.9 tppt? -62.44 145.82 53.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' LYS . 3.3 p30 35.38 49.16 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.425 HD23 ' HB1' ' A' ' 27' ' ' ALA . 14.9 tp -113.39 136.27 52.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.558 ' CZ2' ' HE3' ' A' ' 88' ' ' LYS . 95.6 m95 -90.62 103.94 16.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.538 HG22 ' HB3' ' A' ' 63' ' ' LYS . 87.9 t -106.66 106.37 20.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.532 HG11 HD22 ' A' ' 116' ' ' LEU . 59.3 t -102.34 107.49 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.605 HD13 ' CE2' ' A' ' 20' ' ' TYR . 16.1 tt -99.7 165.47 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.412 ' N ' ' CG1' ' A' ' 35' ' ' ILE . 7.1 t-80 -155.6 111.44 3.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 67' ' ' ALA . 8.5 mt -77.33 83.65 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.48 ' OH ' HD11 ' A' ' 68' ' ' ILE . 17.1 p90 -72.41 156.12 39.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -149.49 121.67 8.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 p -53.28 -24.49 11.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 m -74.28 -32.27 62.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.1 t -87.67 119.79 70.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.646 0.736 . . . . 0.0 111.083 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -26.79 27.05 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.619 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -67.6 -56.82 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' MET . 9.8 p -37.03 -34.51 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.4 mt -47.85 -62.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 44' ' ' MET . 6.0 p -60.01 -33.55 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.525 HG23 ' SD ' ' A' ' 44' ' ' MET . 98.8 t -64.04 -37.77 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -74.12 -39.69 63.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -58.31 -49.68 76.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.516 ' CE1' ' HB2' ' A' ' 109' ' ' LEU . 6.9 m-70 -63.7 -42.59 97.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.58 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 39.8 mt -60.59 -20.64 61.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 t -72.51 -44.58 62.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 p -82.87 -31.26 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.3 mt -69.55 -19.31 63.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.86 -43.68 62.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -79.82 -21.04 44.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 tttp -76.32 -46.33 28.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.425 ' CZ ' HD12 ' A' ' 122' ' ' ILE . 43.6 m-85 -115.56 89.31 22.13 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.681 0.753 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -17.54 37.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -70.62 -40.4 73.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.474 ' HB ' ' CZ ' ' A' ' 64' ' ' PHE . 53.6 m -80.82 126.04 30.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HB3' HG22 ' A' ' 33' ' ' VAL . 24.8 tttt -85.78 102.66 13.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.474 ' CZ ' ' HB ' ' A' ' 62' ' ' THR . 56.6 m-85 -94.0 143.16 26.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.0 m -153.82 137.61 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -111.2 117.57 33.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.525 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -132.97 128.94 37.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.082 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.48 HD11 ' OH ' ' A' ' 38' ' ' TYR . 24.9 mt -74.57 143.32 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 69' ' ' VAL . 11.5 p -76.97 50.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -85.86 112.86 21.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.9 p 54.34 27.93 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.407 ' C ' HG13 ' A' ' 73' ' ' ILE . 3.7 t -91.62 -50.28 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.407 HG13 ' C ' ' A' ' 72' ' ' CYS . 30.6 mt -141.46 133.56 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' HG2' ' N ' ' A' ' 75' ' ' HIS . 22.7 pm0 -91.87 -28.42 17.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.44 ' N ' ' HG2' ' A' ' 74' ' ' GLU . 4.8 m170 -49.44 -34.72 17.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -67.73 127.37 32.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -117.39 -55.72 2.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -173.56 -179.2 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 44.45 45.42 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.4 p -128.03 -36.77 1.94 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.545 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 11.6 mt -82.61 153.07 67.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 0.0 110.944 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.8 176.11 34.02 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.379 -0.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.409 ' CG2' ' CZ ' ' A' ' 85' ' ' PHE . 70.8 m -149.33 136.2 19.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.169 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.414 HG23 ' O ' ' A' ' 35' ' ' ILE . 66.6 mt -136.1 135.46 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.409 ' CZ ' ' CG2' ' A' ' 83' ' ' THR . 48.7 m-85 -131.03 132.66 45.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 94' ' ' GLY . 13.2 t -111.92 125.87 69.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -119.21 130.05 55.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.558 ' HE3' ' CZ2' ' A' ' 32' ' ' TRP . 2.8 tppp? -101.35 -58.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -128.9 25.6 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 107.22 14.34 18.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -129.93 155.67 45.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.45 HG21 ' CE ' ' A' ' 95' ' ' LYS . 4.2 mm -76.48 94.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -75.38 -30.22 60.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.546 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -166.85 123.11 1.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.455 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.589 ' C ' ' CD1' ' A' ' 96' ' ' PHE . 18.6 ptpt -123.29 161.64 24.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -146.53 112.98 5.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.497 HD11 ' HD3' ' A' ' 95' ' ' LYS . 5.3 mp -119.33 126.25 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.35 139.57 9.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.678 HG22 ' HA2' ' A' ' 104' ' ' GLY . 66.6 mt -50.64 -47.58 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.827 0.346 . . . . 0.0 111.084 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.1 mt -64.15 -48.42 85.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 97' ' ' ILE . 28.2 mt-10 -56.59 -27.77 58.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 37.8 t -96.57 22.22 8.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.627 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 100.04 -52.15 1.02 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.678 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 122.3 171.86 13.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.748 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.5 pp -60.58 -13.68 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 111.128 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.748 ' N ' HD12 ' A' ' 105' ' ' ILE . 30.3 m-20 -102.62 0.65 33.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.649 HD21 ' HB2' ' A' ' 112' ' ' LEU . 12.1 tp -45.67 120.01 2.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -81.72 169.06 17.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 9.4 tp -68.69 -28.73 67.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -84.27 -39.72 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -52.71 -52.69 55.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.649 ' HB2' HD21 ' A' ' 107' ' ' LEU . 47.1 tp -63.63 -38.6 91.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.612 ' O ' HD11 ' A' ' 122' ' ' ILE . 30.8 tt0 -52.61 -23.46 6.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.48 ' O ' ' N ' ' A' ' 117' ' ' SER . 20.4 t90 -83.33 -52.88 6.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -39.86 -50.22 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.532 HD22 HG11 ' A' ' 34' ' ' VAL . 7.9 mt -65.59 -30.72 71.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.5 t -72.55 -57.5 4.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -48.93 -20.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 39.1 t -88.89 -36.38 8.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.537 ' O ' ' CE2' ' A' ' 32' ' ' TRP . . . 124.85 -6.16 8.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.464 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.522 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -61.14 -42.34 98.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.781 0.324 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.612 HD11 ' O ' ' A' ' 113' ' ' GLU . 33.6 pt -141.2 179.45 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -117.15 100.47 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.2 p -110.07 149.58 29.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -53.05 -40.75 64.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.402 ' O ' ' CD1' ' A' ' 114' ' ' TRP . 11.9 mt -63.07 112.18 2.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -113.37 175.42 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -122.56 -46.58 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 130' ' ' SER . 97.3 m-20 -113.93 88.72 2.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 129' ' ' ASN . 28.1 m -34.74 -51.34 0.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 61.74 -158.74 32.25 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 148.82 66.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.8 t -115.32 172.32 7.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.846 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 84.4 p -151.23 133.11 15.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.52 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 t -50.02 145.71 5.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.865 0.364 . . . . 0.0 110.848 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.5 m -130.49 151.78 50.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.1 -61.21 0.67 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -120.31 168.32 11.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.907 0.384 . . . . 0.0 110.83 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -160.37 147.14 15.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.36 -165.96 53.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.517 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -118.66 -45.39 2.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -121.25 -69.38 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.35 41.61 25.3 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -175.1 146.34 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.932 0.396 . . . . 0.0 110.835 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.9 tp -80.41 132.26 35.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -125.52 173.61 8.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -127.04 144.55 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 20' ' ' TYR . 18.9 pt -133.46 174.91 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.6 m -109.6 -178.36 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.44 -47.2 86.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -62.37 -29.97 70.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.322 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' TYR . 62.5 mt-30 -82.15 -33.99 29.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.504 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 2.5 t80 -37.93 -50.72 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.15 -68.98 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.183 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -45.72 -21.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 74.4 mm-40 -98.52 -75.39 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.412 HG22 HG11 ' A' ' 33' ' ' VAL . 78.6 t -58.98 -59.58 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.7 m -56.39 -65.83 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -82.41 36.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.646 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -65.65 147.93 52.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.558 ' OE1' HD13 ' A' ' 31' ' ' LEU . 47.3 tt0 -34.56 149.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 4.1 tppp? -55.67 137.43 49.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 46.13 47.87 12.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.646 HD23 ' HB1' ' A' ' 27' ' ' ALA . 11.5 tp -114.86 134.93 54.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.554 ' CZ3' ' HG3' ' A' ' 93' ' ' GLU . 86.0 m95 -89.92 105.19 17.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.499 HG21 ' CB ' ' A' ' 27' ' ' ALA . 78.5 t -104.22 128.32 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.165 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.497 HG11 HD22 ' A' ' 116' ' ' LEU . 92.8 t -123.34 104.98 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.418 HD13 ' CD2' ' A' ' 20' ' ' TYR . 6.6 tt -103.9 138.23 29.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -126.63 104.61 8.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.537 HD22 ' HB ' ' A' ' 69' ' ' VAL . 10.5 mt -70.18 97.5 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -91.7 164.18 13.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.611 ' HB3' HG23 ' A' ' 42' ' ' VAL . 7.5 ttt180 -151.47 118.51 5.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.3 t -46.29 -26.91 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -85.03 22.11 1.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.611 HG23 ' HB3' ' A' ' 39' ' ' ARG . 24.9 t -141.4 120.38 8.09 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.644 0.735 . . . . 0.0 111.074 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -49.6 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.659 2.239 . . . . 0.0 112.356 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.482 ' SD ' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -42.68 -44.74 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.8 m -55.9 -43.14 76.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 80.3 mt -41.77 -58.8 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 44' ' ' MET . 2.7 p -64.31 -41.03 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.482 HG23 ' SD ' ' A' ' 44' ' ' MET . 71.3 t -55.2 -40.16 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.417 ' HA ' HD12 ' A' ' 52' ' ' LEU . 7.2 t-20 -65.85 -45.96 80.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -47.73 -40.14 19.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.466 ' CB ' HD23 ' A' ' 112' ' ' LEU . 7.1 m-70 -72.07 -44.18 63.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.6 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 49' ' ' ASN . 69.1 mt -57.7 -33.52 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 t -59.93 -57.0 14.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.433 ' CG1' HD11 ' A' ' 109' ' ' LEU . 8.6 p -74.0 -27.2 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.1 mt -70.16 -19.37 63.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.428 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -75.54 -44.52 43.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -79.03 -35.27 42.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -62.59 -45.64 91.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.431 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 31.4 m-85 -117.87 90.54 36.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.681 0.753 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -37.37 9.36 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.682 2.255 . . . . 0.0 112.397 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -55.53 -50.65 69.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 32' ' ' TRP . 98.3 m -75.08 125.46 28.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.073 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.7 tttm -71.06 142.78 50.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.428 ' CD2' ' HA ' ' A' ' 56' ' ' ALA . 83.0 m-85 -132.95 117.9 18.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.29 147.33 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.91 142.56 49.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.23 173.15 15.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.095 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.5 mt -106.07 124.63 61.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.669 ' O ' HG13 ' A' ' 69' ' ' VAL . 9.6 p -86.08 47.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -78.81 -45.67 20.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 t -97.36 -42.73 7.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.623 ' HB3' HG23 ' A' ' 69' ' ' VAL . 3.7 t -40.17 -54.17 2.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.9 mt -135.1 146.6 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 75' ' ' HIS . 10.5 pt-20 -91.57 -41.75 10.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.455 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 34.8 m-70 -34.49 -71.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.585 ' CD2' ' HB3' ' A' ' 80' ' ' CYS . 76.9 m-85 -33.78 122.57 0.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.483 ' CD2' ' N ' ' A' ' 77' ' ' HIS . 1.4 p80 -132.76 -71.05 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.456 ' H ' ' CG ' ' A' ' 77' ' ' HIS . 30.7 t0 -135.02 -55.85 0.81 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -81.43 39.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.585 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 86.2 m -134.74 14.25 3.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.553 HD13 HG21 ' A' ' 42' ' ' VAL . 14.6 mt -137.34 152.88 74.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.75 -178.8 17.51 Favored 'Cis proline' 0 C--O 1.232 0.198 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.387 -0.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.544 HG22 ' CE2' ' A' ' 85' ' ' PHE . 7.6 m -146.45 138.69 25.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 69.9 mt -144.51 143.54 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.544 ' CE2' HG22 ' A' ' 83' ' ' THR . 76.9 m-85 -144.53 133.33 22.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.2 t -109.09 131.91 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 24.1 m-85 -125.76 132.63 52.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -112.67 -59.76 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -125.7 42.28 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.74 24.68 37.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.56 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 12.5 pt20 -130.77 -174.69 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.1 mt -109.57 84.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.554 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 41.4 mm-40 -53.59 -36.74 62.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.74 139.43 5.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 20.6 pttp -129.33 147.45 51.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.313 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.7 OUTLIER -138.54 108.18 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.417 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 4.2 mp -123.21 118.85 55.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 116.76 125.39 3.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.534 HG22 ' HA2' ' A' ' 104' ' ' GLY . 91.4 mt -34.16 -56.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 111.11 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.2 mt -58.78 -54.76 29.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.417 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 10.9 mt-10 -46.58 -33.97 4.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.427 ' HB3' ' HE3' ' A' ' 44' ' ' MET . 7.4 m -92.21 28.18 1.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.63 -37.38 3.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.534 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 109.48 171.56 20.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.501 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.9 pp -58.34 -15.75 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 0.0 111.112 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.501 ' N ' HD12 ' A' ' 105' ' ' ILE . 25.6 m120 -90.03 -13.51 35.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 112' ' ' LEU . 6.9 tp -38.04 136.99 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.53 161.96 14.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.433 HD11 ' CG1' ' A' ' 54' ' ' VAL . 24.0 tp -53.88 -40.04 66.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.81 -46.67 62.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -48.06 -58.86 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.6 ' HB2' HD21 ' A' ' 107' ' ' LEU . 52.9 tp -56.02 -43.14 77.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.577 ' O ' HD11 ' A' ' 122' ' ' ILE . 10.2 tt0 -48.34 -35.96 13.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.7 t90 -70.86 -55.98 7.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.659 ' O ' HG23 ' A' ' 119' ' ' VAL . 32.4 mttp -39.47 -47.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.497 HD22 HG11 ' A' ' 34' ' ' VAL . 13.8 mt -69.46 -31.17 69.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 114' ' ' TRP . 4.2 t -73.91 -60.61 2.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -42.78 -34.45 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 115' ' ' LYS . 99.0 t -72.79 -35.13 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 32' ' ' TRP . . . 118.24 3.08 15.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.512 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -71.12 -51.3 25.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 111.059 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.577 HD11 ' O ' ' A' ' 113' ' ' GLU . 20.7 pt -128.12 -175.77 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -122.44 95.97 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.5 t -95.97 150.55 20.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -54.53 -46.91 73.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 127' ' ' GLU . 22.1 mt -50.31 109.37 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 126' ' ' LEU . 12.2 mt-10 -34.82 135.36 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -87.33 150.38 23.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 36.5 m120 59.88 42.73 15.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.6 t -86.55 -56.36 3.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -60.07 133.35 50.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -6.25 18.14 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.363 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 47.0 p -91.89 118.76 31.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 31.2 t -53.96 106.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -132.63 144.73 50.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 m -123.47 174.56 7.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.75 145.12 16.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 p -97.32 110.48 23.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -100.66 143.05 31.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.6 162.58 43.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -119.08 -37.91 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -103.49 -176.27 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.36 36.95 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.467 ' CG ' ' CZ ' ' A' ' 13' ' ' ARG . 7.2 pt-20 -168.58 162.06 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.8 tp -87.45 125.21 34.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.467 ' CZ ' ' CG ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -107.59 176.43 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -130.59 138.81 50.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' A' ' 20' ' ' TYR . 46.0 pt -135.68 169.3 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.0 m -106.12 178.33 4.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.96 -48.67 84.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -62.39 -30.12 70.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' TYR . 56.5 mt-30 -80.83 -36.13 31.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.649 ' HA ' HD12 ' A' ' 15' ' ' ILE . 2.4 t80 -35.92 -49.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.595 HG13 ' CB ' ' A' ' 25' ' ' THR . 98.7 t -69.19 -71.45 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -41.97 -23.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.715 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 7.0 mm-40 -96.2 -75.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.457 HG12 ' CG ' ' A' ' 87' ' ' TYR . 45.2 t -61.88 -52.83 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.595 ' CB ' HG13 ' A' ' 21' ' ' VAL . 87.6 m -63.89 -70.39 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -82.49 36.43 0.48 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -61.18 176.19 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -57.37 169.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 30' ' ' ASP . 44.1 tttm -65.29 135.22 55.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' LYS . 5.1 p-10 36.39 47.59 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 tp -112.35 135.83 52.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.575 ' CZ2' ' HG3' ' A' ' 88' ' ' LYS . 68.7 m95 -87.02 128.27 35.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.451 HG11 HG22 ' A' ' 24' ' ' VAL . 98.6 t -128.95 106.09 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.522 HG11 HD22 ' A' ' 116' ' ' LEU . 95.7 t -98.3 104.41 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.167 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.549 HD13 ' CD2' ' A' ' 20' ' ' TYR . 14.2 tt -99.95 153.73 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 38' ' ' TYR . 7.9 t-80 -138.05 116.81 12.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.818 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.3 mt -80.35 86.7 5.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.571 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 26.9 p90 -82.03 160.03 23.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.624 ' HB3' HG23 ' A' ' 42' ' ' VAL . 17.8 ttt180 -147.31 121.28 9.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.5 p -51.08 -25.87 5.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 m -87.59 20.41 2.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.82 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.624 HG23 ' HB3' ' A' ' 39' ' ' ARG . 45.2 t -136.81 122.38 13.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.742 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -42.88 2.99 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.49 ' SD ' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -54.86 -45.51 74.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 84.3 m -51.47 -36.65 45.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.8 mt -51.95 -66.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 44' ' ' MET . 2.1 p -52.7 -39.64 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.545 HG11 ' CD2' ' A' ' 36' ' ' HIS . 58.8 t -55.69 -46.67 79.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.99 -42.89 95.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -52.0 -44.2 64.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -68.93 -42.46 76.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.634 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.07 -27.35 65.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.8 t -65.8 -52.49 50.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.5 p -76.26 -32.21 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.1 mt -66.55 -17.81 65.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.484 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . . . -80.71 -38.34 29.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.38 -17.45 28.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -81.31 -39.51 25.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -120.61 89.48 44.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.728 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -20.1 35.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -68.93 -37.45 78.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 87.9 m -90.61 137.41 32.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.164 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HB3' HG22 ' A' ' 33' ' ' VAL . 26.5 tttm -93.61 114.1 26.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 65.6 m-85 -100.56 135.5 41.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.77 137.0 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -112.02 127.88 56.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.41 129.54 16.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.6 mt -67.01 146.49 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 69' ' ' VAL . 13.2 p -83.73 44.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.149 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -88.05 124.61 33.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.4 t 50.36 40.96 23.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.2 t -105.5 -55.3 2.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 21.3 mm -126.87 144.01 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -88.67 -43.17 11.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.486 ' CD2' ' H ' ' A' ' 75' ' ' HIS . 23.3 m-70 -46.44 -50.82 16.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -42.02 113.88 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.454 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 13.1 p80 -114.27 -50.94 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 13.5 t70 -173.89 175.23 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 45.37 48.49 10.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 34.3 m -122.31 -41.92 2.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.547 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 6.7 mt -81.26 151.01 68.95 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.641 0.734 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.0 Cg_endo -69.7 169.83 61.2 Favored 'Cis proline' 0 C--O 1.231 0.175 0 C-N-CA 122.734 -1.778 . . . . 0.0 112.363 -0.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.44 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 87.6 m -148.02 140.28 24.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 35' ' ' ILE . 73.7 mt -137.63 148.61 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.44 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 65.5 m-85 -145.15 123.52 12.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.0 t -101.01 135.44 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.457 ' CG ' HG12 ' A' ' 24' ' ' VAL . 22.9 m-85 -125.82 136.21 52.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.575 ' HG3' ' CZ2' ' A' ' 32' ' ' TRP . 1.3 tmtt? -121.66 -62.23 1.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -116.21 41.7 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.55 18.48 68.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -127.8 -175.05 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.4 mt -105.22 94.65 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.481 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 44.7 mm-40 -61.54 -39.13 89.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.1 142.56 7.82 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.434 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -128.3 146.06 50.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 3.4 m-85 -133.81 103.19 5.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.8 mp -114.78 123.18 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.29 135.96 6.91 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.758 HG22 ' HA2' ' A' ' 104' ' ' GLY . 89.6 mt -48.18 -41.09 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.782 0.325 . . . . 0.0 111.149 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.6 mt -69.94 -46.91 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.82 -32.74 70.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 10.9 m -82.67 -7.74 59.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 122.68 -37.0 2.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.508 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.758 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 115.21 163.67 14.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.661 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -59.35 -16.19 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.334 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.661 ' N ' HD12 ' A' ' 105' ' ' ILE . 7.8 p30 -102.5 10.62 38.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.635 HD12 ' HB2' ' A' ' 111' ' ' GLU . 6.3 tp -51.43 134.8 28.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.12 141.32 34.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.6 tp -40.58 -33.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -70.97 -47.41 59.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.635 ' HB2' HD12 ' A' ' 107' ' ' LEU . 20.8 mm-40 -49.62 -55.45 13.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.494 ' HB2' HD21 ' A' ' 107' ' ' LEU . 28.4 tp -59.82 -44.38 94.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.442 ' O ' HD11 ' A' ' 122' ' ' ILE . 32.1 tt0 -47.3 -30.5 3.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.473 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.0 t90 -81.04 -52.79 7.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.518 ' O ' HG23 ' A' ' 119' ' ' VAL . 23.0 mttm -40.06 -49.92 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.522 HD22 HG11 ' A' ' 34' ' ' VAL . 14.5 mt -67.16 -30.11 70.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.4 t -74.08 -62.89 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -40.71 -25.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 115' ' ' LYS . 79.8 t -80.12 -39.76 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 125.92 0.37 7.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.546 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -70.59 -39.58 73.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.31 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.442 HD11 ' O ' ' A' ' 113' ' ' GLU . 36.9 pt -140.81 -175.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.46 ' O ' ' CD ' ' A' ' 123' ' ' GLN . 2.4 pp0? -129.04 88.64 2.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.5 p -72.27 -176.2 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -118.66 -23.59 7.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.3 mp -38.46 145.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.498 ' O ' ' C ' ' A' ' 128' ' ' GLU . 13.7 pt-20 -42.01 164.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 127' ' ' GLU . 35.8 mt-10 30.5 53.55 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -70.51 -53.52 15.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 92.0 p -148.42 -176.03 5.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -81.09 174.71 54.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.523 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -23.54 30.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.363 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.6 m -52.21 172.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 33.0 t -161.23 137.44 8.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.523 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.9 m -63.52 164.33 9.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.3 p -127.34 94.3 3.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.26 92.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 m -137.46 109.09 7.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.884 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.2 p -56.72 -64.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.84 138.28 7.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -117.71 -42.2 2.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -102.62 -175.34 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.27 39.85 0.13 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -174.82 173.5 2.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.4 tp -99.41 127.43 45.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -118.57 169.12 10.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -121.02 150.24 41.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 16.2 pt -137.48 172.13 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -100.19 179.01 4.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -60.27 -74.82 0.32 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.54 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -39.16 -34.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.75 0.309 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 20' ' ' TYR . 28.4 mm100 -72.95 -40.26 65.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.572 ' CE2' HD13 ' A' ' 35' ' ' ILE . 2.2 t80 -34.15 -50.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.454 HG13 ' CB ' ' A' ' 25' ' ' THR . 88.8 t -68.97 -67.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -43.86 -22.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.613 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 9.5 mm-40 -101.81 -74.63 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.551 HG12 ' CG ' ' A' ' 87' ' ' TYR . 22.9 t -56.1 -54.07 31.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.454 ' CB ' HG13 ' A' ' 21' ' ' VAL . 51.0 m -65.15 -67.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -82.3 35.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -62.8 161.61 12.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.072 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.641 ' HB3' HD22 ' A' ' 31' ' ' LEU . 4.1 tp10 -50.53 157.31 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 14.4 ttmm -61.15 149.76 36.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER 36.74 44.83 0.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.641 HD22 ' HB3' ' A' ' 28' ' ' GLU . 6.3 tp -123.14 131.99 53.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.518 ' CD2' ' HA ' ' A' ' 121' ' ' ALA . 79.3 m95 -91.93 128.26 37.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.7 t -119.74 94.86 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.9 t -85.96 102.27 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.594 ' O ' HG23 ' A' ' 84' ' ' ILE . 14.8 tt -99.84 147.35 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.135 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -126.77 118.94 25.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.775 HD23 ' O ' ' A' ' 67' ' ' ALA . 8.3 mt -96.78 119.06 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -117.35 145.93 43.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' SER . 28.0 ttt180 -110.17 23.79 13.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t 39.62 25.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 39' ' ' ARG . 4.0 m -127.49 -23.09 3.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.522 HG21 ' HB2' ' A' ' 81' ' ' LEU . 62.2 t -103.09 133.35 20.39 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.635 0.731 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.451 ' HD2' HG13 ' A' ' 42' ' ' VAL . 54.0 Cg_endo -69.78 -41.34 4.33 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.598 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -48.12 -47.65 34.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 84.2 m -55.53 -50.86 68.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.9 mt -44.34 -52.4 7.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 82.2 t -61.47 -44.25 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 44' ' ' MET . 87.5 t -50.34 -42.91 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.664 ' HA ' HD12 ' A' ' 52' ' ' LEU . 28.2 t-20 -64.92 -39.88 94.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -50.09 -51.62 41.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' LEU . 14.2 m-70 -65.46 -50.55 64.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.622 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 49' ' ' ASN . 18.8 mt -36.91 -36.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.954 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -66.23 -51.57 56.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.73 -36.4 77.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 116' ' ' LEU . 14.8 mt -74.96 -27.81 60.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.563 ' HA ' ' CE1' ' A' ' 64' ' ' PHE . . . -64.38 -44.18 92.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 ptm85 -77.31 -37.64 52.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -64.53 -48.17 76.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.463 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 54.4 m-85 -108.9 93.96 13.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.673 0.749 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.7 Cg_endo -69.77 -33.82 15.78 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.268 . . . . 0.0 112.355 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -55.87 -51.09 68.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 98.6 m -68.53 132.12 46.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -98.07 99.13 10.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.563 ' CE1' ' HA ' ' A' ' 56' ' ' ALA . 22.0 m-85 -87.66 130.96 34.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.4 m -140.19 142.16 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -104.68 139.05 40.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.775 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -164.53 133.64 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.2 mt -78.38 147.33 7.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.76 ' HB ' HD22 ' A' ' 37' ' ' LEU . 12.0 p -105.85 43.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.073 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -86.33 -45.88 10.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 72' ' ' CYS . 23.3 t -93.54 -44.42 8.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 71' ' ' SER . 5.4 t -34.65 -44.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.423 HG22 ' CG2' ' A' ' 69' ' ' VAL . 14.6 tt -147.81 141.49 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -111.81 43.17 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -114.53 -44.64 3.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.498 ' OH ' HG21 ' A' ' 83' ' ' THR . 7.7 m-85 -38.57 107.48 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.499 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 14.8 p80 -98.83 -53.9 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.499 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 24.6 t0 -173.17 175.58 3.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 53.84 43.37 31.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.48 ' O ' HG23 ' A' ' 97' ' ' ILE . 87.1 m -128.17 -62.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.555 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 3.2 mt -60.52 142.64 90.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.727 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.75 165.42 76.64 Favored 'Cis proline' 0 C--O 1.232 0.193 0 C-N-CA 122.684 -1.799 . . . . 0.0 112.356 -0.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.498 HG21 ' OH ' ' A' ' 76' ' ' TYR . 32.7 m -140.11 125.97 19.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 35' ' ' ILE . 35.5 mt -138.19 139.5 41.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -134.06 129.38 35.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.9 t -100.29 120.95 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CE1' ' CD1' ' A' ' 92' ' ' ILE . 10.3 m-85 -108.97 127.72 54.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.515 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 37.6 tptt -112.23 -54.81 2.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -129.2 42.14 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.71 26.45 50.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -142.25 173.67 11.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.769 0.318 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.582 ' CD1' ' CE1' ' A' ' 87' ' ' TYR . 45.5 mm -90.76 99.27 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 77.6 mm-40 -78.15 -34.12 49.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.11 126.69 1.71 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -115.54 140.5 49.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -130.89 86.99 2.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.48 HG23 ' O ' ' A' ' 80' ' ' CYS . 4.9 mp -106.23 117.19 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.14 129.79 5.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.556 HG22 ' HA2' ' A' ' 104' ' ' GLY . 82.4 mt -37.56 -48.98 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 0.0 111.12 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.0 mt -59.6 -55.63 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -49.48 -36.97 24.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.418 ' C ' ' HE3' ' A' ' 115' ' ' LYS . 1.8 m -74.76 -22.36 58.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 130.53 -35.32 2.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.526 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.556 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 115.81 151.97 9.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.533 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.695 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.3 pp -42.34 -27.76 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.351 . . . . 0.0 111.121 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.695 ' N ' HD12 ' A' ' 105' ' ' ILE . 20.5 m120 -85.33 22.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 104' ' ' GLY . 42.2 tp -55.79 108.44 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -82.06 144.9 30.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.1 tp -41.58 -39.0 1.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -80.93 -43.08 20.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -43.79 -54.35 5.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.414 ' HB2' HD21 ' A' ' 107' ' ' LEU . 47.8 tp -63.42 -42.77 98.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.55 ' O ' HD11 ' A' ' 122' ' ' ILE . 36.8 tt0 -45.84 -41.55 11.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.49 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.9 t90 -65.48 -55.91 15.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.418 ' HE3' ' C ' ' A' ' 102' ' ' CYS . 14.3 mttm -38.46 -52.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.402 ' CD1' HD13 ' A' ' 55' ' ' LEU . 10.9 mt -64.11 -31.89 73.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 114' ' ' TRP . 7.4 t -71.62 -61.27 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -41.36 -32.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.5 t -74.4 -39.17 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 123.85 3.08 8.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.518 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -71.52 -45.51 62.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.55 HD11 ' O ' ' A' ' 113' ' ' GLU . 26.9 pt -135.54 -179.95 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -125.49 97.96 5.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.0 p -97.96 157.11 16.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -57.7 -43.95 85.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 127' ' ' GLU . 14.3 mt -51.45 126.98 18.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 126' ' ' LEU . 15.9 pt-20 -34.47 128.36 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -116.67 164.84 14.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -73.83 -59.81 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 19.7 m -161.39 170.66 19.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -137.24 153.66 22.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 128.25 15.81 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.394 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 58.3 m -47.39 110.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 22.6 m -81.23 173.87 12.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -161.47 174.81 12.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -144.81 176.61 9.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.78 138.15 8.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -103.92 85.39 2.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.901 0.381 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 t -174.54 125.56 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.483 ' CA ' ' HB2' ' A' ' 60' ' ' PRO . . . -142.53 159.47 27.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.573 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 7.6 ptpp? -119.06 -40.72 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.573 ' CD1' ' HG3' ' A' ' 8' ' ' LYS . 4.4 m-85 -107.26 -71.38 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.12 51.23 24.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -175.12 131.73 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.412 HD21 ' HD3' ' A' ' 66' ' ' LYS . 55.4 tp -68.52 117.35 10.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -109.87 168.79 9.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -125.13 129.59 50.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 20' ' ' TYR . 22.5 pt -116.65 170.23 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 t -107.65 177.06 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -52.35 -77.11 0.15 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -39.13 -35.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.322 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 20' ' ' TYR . 40.8 mt-30 -73.33 -39.16 65.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.614 ' HA ' HD12 ' A' ' 15' ' ' ILE . 1.7 t80 -34.2 -51.36 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.545 HG13 ' CB ' ' A' ' 25' ' ' THR . 94.0 t -70.39 -67.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -43.7 -22.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 5.8 mm-40 -99.99 -75.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.6 t -57.79 -57.51 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.545 ' CB ' HG13 ' A' ' 21' ' ' VAL . 37.8 m -59.94 -67.32 0.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -81.13 37.6 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.507 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -66.34 156.78 33.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.603 ' HB3' HD22 ' A' ' 31' ' ' LEU . 35.2 tp10 -46.15 157.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 18.2 tptp -59.7 138.06 57.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 44.04 38.84 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 28' ' ' GLU . 9.5 tp -110.12 115.85 30.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.611 ' HZ3' HG12 ' A' ' 119' ' ' VAL . 61.9 m95 -73.0 125.31 27.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.408 HG22 ' HB3' ' A' ' 63' ' ' LYS . 98.9 t -123.81 107.52 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.449 HG22 HG22 ' A' ' 86' ' ' VAL . 92.4 t -98.68 105.07 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.429 HD13 ' CD2' ' A' ' 20' ' ' TYR . 6.4 tt -101.21 144.41 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -130.7 94.37 3.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.406 HD12 ' CG2' ' A' ' 83' ' ' THR . 10.1 mt -60.66 103.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -99.63 129.21 45.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -99.32 15.16 27.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m 39.97 25.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 39' ' ' ARG . 38.3 m -132.3 -29.26 1.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.4 ' CG1' ' HD2' ' A' ' 43' ' ' PRO . 2.1 t -79.34 134.22 59.03 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.649 0.737 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.509 ' HA ' HD12 ' A' ' 46' ' ' LEU . 53.1 Cg_endo -69.81 -19.99 35.18 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.25 . . . . 0.0 112.303 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -57.21 3.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.9 p -44.34 -40.53 5.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 43' ' ' PRO . 65.9 mt -51.67 -46.22 63.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.966 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.5 t -69.16 -41.48 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.119 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 45.2 t -56.45 -45.61 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.88 -44.7 82.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -48.8 -46.05 41.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.487 ' O ' HG12 ' A' ' 54' ' ' VAL . 12.3 m-70 -70.29 -48.99 54.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.644 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.5 mt -45.05 -37.81 4.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.1 t -54.12 -57.18 12.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.889 HG11 HD11 ' A' ' 109' ' ' LEU . 10.5 p -71.24 -34.54 54.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.572 HD13 ' CD1' ' A' ' 116' ' ' LEU . 37.5 mt -62.58 -18.99 63.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.48 -43.56 31.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -80.05 -39.16 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -62.11 -48.83 78.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.515 ' CD1' ' HB ' ' A' ' 122' ' ' ILE . 55.9 m-85 -117.76 88.78 31.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.659 0.742 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.483 ' HB2' ' CA ' ' A' ' 7' ' ' GLY . 53.3 Cg_endo -69.81 -32.78 17.69 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -52.38 -41.48 63.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.4 m -81.21 126.03 31.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.408 ' HB3' HG22 ' A' ' 33' ' ' VAL . 35.2 tttm -86.52 107.35 18.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -95.95 139.97 31.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.3 m -151.34 128.29 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.412 ' HD3' HD21 ' A' ' 12' ' ' LEU . 43.5 pttt -105.58 120.2 41.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.86 165.94 21.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.6 mt -105.31 146.2 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.643 ' O ' HG12 ' A' ' 69' ' ' VAL . 53.2 t -76.82 50.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -85.24 116.44 23.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.2 t 40.83 40.26 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.5 t -96.95 -45.8 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.4 mt -137.3 113.48 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.48 42.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 54.7 m170 -131.37 -45.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -48.77 130.87 18.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.422 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 9.0 p80 -125.02 -56.32 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.422 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 13.3 t70 -162.72 -179.29 6.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 42.59 43.65 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.478 ' O ' HG23 ' A' ' 97' ' ' ILE . 8.8 p -121.72 -38.82 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.552 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 3.9 mt -85.7 148.72 49.52 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.59 0.709 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.76 164.97 77.86 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.36 -0.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.572 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 41.5 m -135.6 129.34 32.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.4 mt -140.56 132.39 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.572 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 73.3 m-85 -134.5 127.51 31.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.449 HG22 HG22 ' A' ' 34' ' ' VAL . 16.2 t -99.6 122.78 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 37.6 m-85 -120.65 130.08 53.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.537 ' HE2' ' CE2' ' A' ' 32' ' ' TRP . 15.2 ttmt -107.5 -64.07 1.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -123.69 39.59 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.52 21.64 33.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.602 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 13.0 pt20 -126.59 -178.54 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.922 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 75.3 mt -107.8 86.14 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -58.36 -34.49 70.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -171.95 134.03 2.9 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -119.03 146.62 44.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 4.1 m-85 -134.89 101.16 4.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.478 HG23 ' O ' ' A' ' 80' ' ' CYS . 5.3 mp -120.38 115.65 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 117.42 128.2 4.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.517 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.641 HG22 ' HA2' ' A' ' 104' ' ' GLY . 91.3 mt -37.34 -58.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 111.098 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.684 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.4 mp -58.63 -51.76 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 9.6 mt-10 -46.71 -36.41 7.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.506 ' O ' HD22 ' A' ' 107' ' ' LEU . 10.4 t -94.21 30.01 2.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.479 ' N ' ' HE3' ' A' ' 115' ' ' LYS . . . 90.68 -44.3 2.89 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.641 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 112.23 175.85 19.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.607 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -59.65 -13.07 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 111.154 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.607 ' N ' HD12 ' A' ' 105' ' ' ILE . 72.2 m-20 -92.49 -11.84 33.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.576 HD21 HD13 ' A' ' 112' ' ' LEU . 61.2 tp -35.31 109.27 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -80.31 160.68 25.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.889 HD11 HG11 ' A' ' 54' ' ' VAL . 44.8 tp -54.28 -40.57 67.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -79.75 -39.47 30.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -48.95 -56.49 8.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.576 HD13 HD21 ' A' ' 107' ' ' LEU . 70.2 tp -58.24 -44.15 88.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.657 ' O ' HD11 ' A' ' 122' ' ' ILE . 12.7 tt0 -42.44 -38.87 2.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.49 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.6 t90 -70.08 -54.22 14.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.529 ' O ' HG23 ' A' ' 119' ' ' VAL . 16.9 mttm -40.35 -45.14 2.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.572 ' CD1' HD13 ' A' ' 55' ' ' LEU . 12.8 mt -72.75 -29.43 63.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 114' ' ' TRP . 8.6 t -74.57 -60.32 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -40.94 -29.94 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.611 HG12 ' HZ3' ' A' ' 32' ' ' TRP . 92.7 t -76.4 -40.39 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 123.81 6.15 7.28 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.522 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -76.77 -48.49 18.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.657 HD11 ' O ' ' A' ' 113' ' ' GLU . 10.4 pt -131.32 -177.84 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.161 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.607 ' N ' ' NE2' ' A' ' 123' ' ' GLN . 1.7 mp0 -119.38 97.68 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.3 p -82.38 142.16 32.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -58.1 -45.57 87.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 127' ' ' GLU . 51.4 mt -45.51 109.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 126' ' ' LEU . 1.1 pm0 -34.53 129.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -72.43 156.36 39.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -120.27 -50.66 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.3 t -135.73 143.96 45.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 147.97 129.55 1.89 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 90.14 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 86.8 p -81.43 42.86 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.4 m -75.69 -47.74 24.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 m -126.82 118.53 24.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 0.0 110.893 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -50.03 158.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.71 -50.78 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -108.57 144.46 36.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.843 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -71.95 163.65 27.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.28 146.15 2.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -82.84 -44.74 15.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.808 0.337 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -107.45 -176.4 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.47 43.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -174.39 176.69 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.516 HD21 ' HD2' ' A' ' 66' ' ' LYS . 29.3 tp -110.99 118.09 35.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -109.36 173.55 6.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -126.23 143.55 51.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' A' ' 20' ' ' TYR . 41.0 pt -135.27 171.98 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -104.99 167.39 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -48.27 -60.15 5.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.52 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -50.61 -35.45 30.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -75.92 -33.74 59.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.899 ' CE2' HD13 ' A' ' 35' ' ' ILE . 15.9 t80 -38.5 -51.58 1.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.576 HG13 ' CB ' ' A' ' 25' ' ' THR . 66.0 t -69.63 -71.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -41.63 -23.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' VAL . 17.9 mm-40 -94.65 -73.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 19.9 t -66.65 -71.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.576 ' CB ' HG13 ' A' ' 21' ' ' VAL . 31.9 m -41.13 -64.56 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -81.67 35.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 24' ' ' VAL . . . -74.86 174.7 8.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.473 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -53.27 176.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.486 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 22.5 ttpt -84.84 -69.63 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -85.96 43.49 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 6.1 tp -121.9 149.92 42.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.551 ' CZ2' ' HG3' ' A' ' 88' ' ' LYS . 73.4 m95 -113.07 107.33 15.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.9 t -102.44 115.75 44.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.642 HG22 HG22 ' A' ' 86' ' ' VAL . 65.7 t -111.24 109.57 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.899 HD13 ' CE2' ' A' ' 20' ' ' TYR . 12.4 tt -100.5 152.64 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -141.38 108.87 5.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.873 HD22 ' CG2' ' A' ' 69' ' ' VAL . 8.1 mt -71.78 91.36 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.407 ' CE1' ' HG3' ' A' ' 66' ' ' LYS . 4.0 p90 -95.22 151.66 19.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 9.6 mtp-105 -148.82 128.12 12.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.2 t -49.33 -24.98 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 t -70.4 -34.28 72.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 44' ' ' MET . 10.9 t -90.75 116.25 65.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 111.158 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -18.62 36.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.55 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -72.23 -49.76 32.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.2 p -48.94 -29.43 4.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.0 mt -53.66 -63.55 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 44' ' ' MET . 7.2 p -59.05 -33.83 51.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.458 HG23 ' SD ' ' A' ' 44' ' ' MET . 59.1 t -67.58 -37.25 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -69.46 -36.3 76.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -59.18 -40.35 85.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.539 ' CB ' HD12 ' A' ' 109' ' ' LEU . 5.1 m-70 -69.17 -49.48 56.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.579 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.8 mt -51.81 -32.65 32.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.5 t -60.24 -53.96 51.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.621 ' CG1' HD11 ' A' ' 109' ' ' LEU . 11.9 p -75.28 -27.94 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.76 -19.35 65.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.4 -42.76 64.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.093 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 7.8 ptm180 -78.55 -36.04 45.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 31.1 tttp -63.77 -47.94 78.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -118.28 87.17 29.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 -28.76 24.48 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.691 2.261 . . . . 0.0 112.301 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -61.2 -48.41 81.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 32' ' ' TRP . 82.4 m -78.15 126.54 30.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -74.06 140.37 45.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -130.4 118.23 20.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.6 m -144.54 163.28 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.516 ' HD2' HD21 ' A' ' 12' ' ' LEU . 1.1 pmtp? -145.1 155.1 43.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -149.04 132.27 16.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.054 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.2 mt -74.53 123.76 30.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.873 ' CG2' HD22 ' A' ' 37' ' ' LEU . 92.9 t -75.65 55.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -84.0 -41.92 16.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.7 m -104.83 -40.06 6.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.428 ' C ' HG13 ' A' ' 73' ' ' ILE . 26.1 m -38.33 -58.67 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.465 HD12 ' CE1' ' A' ' 76' ' ' TYR . 40.3 mt -153.97 139.63 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -80.1 -36.29 35.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -75.92 47.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.465 ' CE1' HD12 ' A' ' 73' ' ' ILE . 4.7 m-85 -134.98 95.36 3.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -132.79 -66.47 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -132.9 -42.02 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -37.79 -48.74 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 10.5 p -102.41 -50.21 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.543 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 79.0 mt -67.67 148.7 98.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.623 0.725 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.7 143.33 73.45 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 -1.784 . . . . 0.0 112.364 -0.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.659 ' HB ' HD12 ' A' ' 37' ' ' LEU . 86.2 m -120.9 144.99 48.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 87.6 mt -146.09 134.64 16.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 95' ' ' LYS . 40.3 m-85 -136.45 141.0 43.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.642 HG22 HG22 ' A' ' 34' ' ' VAL . 61.4 t -115.09 132.43 64.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -125.1 130.79 52.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.551 ' HG3' ' CZ2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -111.58 -61.87 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 29' ' ' LYS . 17.6 m120 -119.82 38.58 3.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 89.76 2.56 75.33 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 92' ' ' ILE . 1.5 tp-100 -118.6 152.21 36.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.746 0.308 . . . . 0.0 110.928 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.507 ' N ' ' OE1' ' A' ' 91' ' ' GLN . 93.7 mt -75.01 106.74 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.52 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 36.6 mm-40 -78.33 -34.65 48.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.21 133.47 2.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 85' ' ' PHE . 45.4 pttt -122.65 152.26 40.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.358 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.408 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 11.4 m-85 -138.52 111.37 7.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 97' ' ' ILE . 5.1 mp -123.09 128.87 75.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.09 149.82 19.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.2 mm -52.54 -66.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 103' ' ' GLY . 22.6 mt -49.93 -55.72 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -46.85 -32.11 3.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.401 ' O ' ' HE3' ' A' ' 44' ' ' MET . 32.6 t -94.61 29.22 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.577 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 88.57 -41.98 3.06 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 108.24 166.34 21.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.556 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.697 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -55.16 -18.62 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.794 0.33 . . . . 0.0 111.115 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.697 ' N ' HD12 ' A' ' 105' ' ' ILE . 23.1 m-20 -101.14 24.1 9.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.615 HD21 ' HB2' ' A' ' 112' ' ' LEU . 3.7 tp -72.28 121.86 20.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -83.75 171.18 13.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.621 HD11 ' CG1' ' A' ' 54' ' ' VAL . 11.6 tp -65.0 -34.98 79.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.26 -45.27 20.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -44.99 -53.23 7.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.615 ' HB2' HD21 ' A' ' 107' ' ' LEU . 55.6 tp -63.16 -44.2 96.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -44.17 -42.53 6.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.429 ' O ' ' N ' ' A' ' 117' ' ' SER . 20.0 t90 -61.19 -54.41 44.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.55 ' O ' HG23 ' A' ' 119' ' ' VAL . 14.8 mttm -40.31 -51.04 2.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.18 -33.29 75.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 120' ' ' GLY . 10.7 t -72.77 -63.17 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -39.89 -32.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 115' ' ' LYS . 89.2 t -74.43 -39.33 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.163 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 121.83 6.7 8.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.532 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -75.34 -42.72 53.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.789 0.328 . . . . 0.0 111.119 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 32.9 pt -136.52 -179.55 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -115.51 104.21 11.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.1 p -106.99 156.28 18.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -77.63 -43.99 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 55.6 mt -39.19 140.36 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -82.29 170.67 15.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? -103.05 132.2 49.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -82.43 -61.38 1.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.3 p 49.38 41.89 21.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 71.05 145.36 0.34 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -17.57 37.57 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.73 2.287 . . . . 0.0 112.34 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 68.6 m 44.78 41.33 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.0 t -89.45 108.22 19.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -128.7 -54.12 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 t -52.53 -49.88 63.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.11 -176.69 23.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.6 m -93.44 135.65 34.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.359 . . . . 0.0 110.854 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -118.22 131.18 56.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.477 ' CA ' ' HB2' ' A' ' 60' ' ' PRO . . . -51.28 174.23 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -116.72 -56.17 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -112.16 -70.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.85 43.43 7.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -174.99 143.81 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.2 tp -80.0 121.71 25.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 mtt-85 -110.56 -176.56 3.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -142.4 115.8 9.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 20' ' ' TYR . 30.0 pt -109.02 166.62 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.407 ' H ' ' CG ' ' A' ' 19' ' ' GLN . 3.4 m -97.74 164.59 12.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.69 -30.79 66.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -66.2 -40.7 90.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.407 ' CG ' ' H ' ' A' ' 16' ' ' SER . 1.8 pt20 -89.89 -1.64 58.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.788 ' CE2' HD13 ' A' ' 35' ' ' ILE . 4.9 t80 -55.39 -54.54 42.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.715 HG13 ' CB ' ' A' ' 25' ' ' THR . 99.6 t -65.72 -59.72 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.183 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -47.19 -22.05 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -100.9 -75.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.694 HG22 HG11 ' A' ' 33' ' ' VAL . 76.4 t -60.17 -72.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.715 ' CB ' HG13 ' A' ' 21' ' ' VAL . 87.0 m -39.47 -67.78 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -83.44 33.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 24' ' ' VAL . . . -65.12 151.15 46.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.109 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 9.3 tp10 -41.86 159.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 44.4 tttt -63.47 -75.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.63 48.87 0.97 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.455 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 6.6 tp -130.15 136.92 49.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.573 ' CZ2' ' HE3' ' A' ' 88' ' ' LYS . 84.8 m95 -103.58 107.94 19.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.694 HG11 HG22 ' A' ' 24' ' ' VAL . 62.0 t -102.57 104.66 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 86' ' ' VAL . 96.9 t -103.84 102.04 13.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.788 HD13 ' CE2' ' A' ' 20' ' ' TYR . 15.4 tt -94.0 152.71 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -140.11 112.25 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 67' ' ' ALA . 8.8 mt -79.64 86.38 5.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -79.55 150.51 31.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.965 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -146.08 121.29 10.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.8 p -49.53 -21.42 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 t -78.67 9.92 3.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.534 HG21 ' HB2' ' A' ' 81' ' ' LEU . 15.0 t -133.07 121.59 16.88 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.566 0.698 . . . . 0.0 111.084 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -30.49 22.28 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.579 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -64.67 -51.16 63.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 96.8 m -42.58 -35.92 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.5 mt -49.61 -64.36 0.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 44' ' ' MET . 6.8 p -59.21 -36.26 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 44' ' ' MET . 46.5 t -57.55 -46.61 86.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.458 ' HA ' HD12 ' A' ' 52' ' ' LEU . 31.0 t-20 -62.77 -43.83 97.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -53.56 -52.04 60.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' A' ' 109' ' ' LEU . 22.7 m-70 -61.41 -45.31 94.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.623 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 49' ' ' ASN . 19.5 mt -47.75 -41.16 22.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.6 t -54.68 -57.65 10.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.3 t -61.68 -42.55 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.682 HD13 ' CD1' ' A' ' 116' ' ' LEU . 63.6 mt -64.73 -18.41 65.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.43 -34.23 41.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 1.8 ptm85 -91.64 -17.16 25.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -82.93 -45.96 13.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -117.91 88.4 30.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.715 0.769 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.477 ' HB2' ' CA ' ' A' ' 7' ' ' GLY . 53.9 Cg_endo -69.75 -24.7 29.41 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -60.5 -28.55 68.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.403 ' HB ' ' CZ ' ' A' ' 64' ' ' PHE . 98.9 m -92.72 130.51 38.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -90.55 101.31 14.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.403 ' CZ ' ' HB ' ' A' ' 62' ' ' THR . 55.0 m-85 -93.45 134.28 35.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.9 m -146.73 129.89 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -98.83 128.84 45.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.433 ' HB3' HD11 ' A' ' 35' ' ' ILE . . . -141.69 122.2 14.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.083 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 34.0 mt -55.36 148.43 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.745 HG23 HG23 ' A' ' 73' ' ' ILE . 7.3 p -80.01 44.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -100.09 117.98 35.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.0 m 59.3 31.02 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.8 t -114.25 -54.78 2.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.745 HG23 HG23 ' A' ' 69' ' ' VAL . 2.5 pp -73.7 169.59 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -87.31 -48.87 7.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.464 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 1.3 p80 -159.45 106.16 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.591 ' CE2' HG21 ' A' ' 73' ' ' ILE . 3.1 m-30 -115.32 139.65 49.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.546 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 21.2 p-80 -134.67 -49.7 0.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.546 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 6.6 t70 -170.47 174.03 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 50.62 42.12 26.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.56 ' O ' HG23 ' A' ' 97' ' ' ILE . 40.5 m -122.77 -57.3 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.547 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 4.9 mt -80.55 148.77 66.83 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.597 0.713 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.75 159.9 88.88 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.364 -0.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 54.5 m -136.39 118.5 15.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.0 mt -124.52 136.08 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -129.75 135.24 48.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 34' ' ' VAL . 26.4 t -111.25 118.25 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -114.2 126.15 54.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.573 ' HE3' ' CZ2' ' A' ' 32' ' ' TRP . 0.8 OUTLIER -102.01 -67.61 0.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.935 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.416 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 10.1 m-80 -119.31 30.71 6.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 99.92 16.93 26.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -130.14 151.86 50.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.622 HG21 ' HE2' ' A' ' 95' ' ' LYS . 50.1 mt -75.65 88.63 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.61 -32.99 74.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -163.99 138.06 5.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.622 ' HE2' HG21 ' A' ' 92' ' ' ILE . 17.1 ptpt -132.18 145.05 51.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.531 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 54.1 m-85 -134.46 103.0 5.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 80' ' ' CYS . 4.8 mp -118.61 117.53 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 120.5 143.44 6.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.548 HG22 ' HA2' ' A' ' 104' ' ' GLY . 42.7 mm -49.6 -51.96 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.784 0.326 . . . . 0.0 111.126 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.3 mt -69.33 -40.79 80.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 14.5 mt-10 -58.43 -31.43 67.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.812 ' O ' HD22 ' A' ' 107' ' ' LEU . 2.5 t -90.0 1.62 56.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.87 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 116.32 -35.09 4.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.548 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 108.08 155.89 18.68 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.978 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.5 pp -49.25 -23.95 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.882 0.373 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.978 ' N ' HD12 ' A' ' 105' ' ' ILE . 3.7 p30 -97.11 25.41 5.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.87 HD13 ' HA3' ' A' ' 103' ' ' GLY . 57.5 tp -70.82 123.05 21.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -81.18 176.55 9.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.524 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 5.5 tp -76.6 -28.2 56.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -81.97 -49.58 10.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -49.52 -52.62 28.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.656 ' HB2' HD21 ' A' ' 107' ' ' LEU . 41.2 tp -58.07 -40.12 80.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.411 ' O ' HD11 ' A' ' 122' ' ' ILE . 38.0 tt0 -51.15 -39.87 57.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.498 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.3 t90 -60.12 -56.41 21.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.625 ' O ' HG23 ' A' ' 119' ' ' VAL . 29.9 mttp -39.73 -47.85 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.682 ' CD1' HD13 ' A' ' 55' ' ' LEU . 14.9 mt -67.5 -31.19 71.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 114' ' ' TRP . 5.4 t -76.16 -62.28 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -40.79 -30.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 115' ' ' LYS . 95.6 t -80.36 -36.91 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.175 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 124.26 -4.89 8.87 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.501 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.456 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -61.5 -35.62 78.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 111.111 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.411 HD11 ' O ' ' A' ' 113' ' ' GLU . 38.3 pt -146.42 176.64 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.58 ' NE2' ' H ' ' A' ' 123' ' ' GLN . 1.8 pm0 -119.26 91.5 3.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.8 p -96.22 175.01 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -114.8 30.05 7.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 20.5 mt -106.09 113.6 27.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -155.73 151.9 27.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -111.57 97.84 7.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -75.66 75.12 2.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.2 t -172.81 128.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 76.12 -176.33 51.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 124.42 11.07 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.328 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.2 t -94.93 97.91 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 54.5 p -89.42 112.87 24.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 p -52.88 172.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 0.0 110.903 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -130.23 -60.69 1.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.22 96.57 1.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 m -157.14 142.04 16.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.884 0.373 . . . . 0.0 110.868 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 m -82.51 42.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.04 137.17 0.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -79.04 -57.36 3.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.949 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -95.96 -175.22 3.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.15 32.23 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -171.09 149.29 2.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.1 tp -74.76 124.81 27.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.96 -176.72 3.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -144.42 135.05 24.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 20' ' ' TYR . 39.8 pt -134.74 168.69 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 m -103.21 -175.63 2.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.33 -67.9 1.91 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -47.12 -27.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -81.88 -37.84 26.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.637 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.5 t80 -38.63 -48.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.566 HG13 ' CB ' ' A' ' 25' ' ' THR . 83.6 t -68.56 -71.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -39.31 -25.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 8.5 mm-40 -99.22 -75.03 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.51 ' HA ' HG11 ' A' ' 33' ' ' VAL . 32.0 t -55.95 -50.44 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.566 ' CB ' HG13 ' A' ' 21' ' ' VAL . 85.2 m -68.55 -62.61 1.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -84.25 29.5 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -57.51 172.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.471 ' HB3' HD22 ' A' ' 31' ' ' LEU . 9.0 tm-20 -62.63 162.37 10.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 30' ' ' ASP . 22.9 ttpt -63.9 144.39 57.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.429 ' N ' ' HG2' ' A' ' 29' ' ' LYS . 0.9 OUTLIER 37.67 42.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 28' ' ' GLU . 9.3 tp -113.08 127.13 56.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.571 ' CZ2' ' HE2' ' A' ' 88' ' ' LYS . 88.7 m95 -80.08 120.36 24.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.51 HG11 ' HA ' ' A' ' 24' ' ' VAL . 41.6 t -119.56 107.69 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.481 HG11 HD22 ' A' ' 116' ' ' LEU . 99.4 t -107.4 105.78 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.637 HD13 ' CD2' ' A' ' 20' ' ' TYR . 13.9 tt -98.62 149.29 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.504 ' CE1' ' HB3' ' A' ' 38' ' ' TYR . 5.1 t-80 -133.79 116.62 15.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.824 HD12 ' HB ' ' A' ' 83' ' ' THR . 10.4 mt -80.52 91.26 5.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.504 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 5.9 p90 -90.48 147.1 23.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.465 ' HG3' ' CD1' ' A' ' 81' ' ' LEU . 5.6 mmt85 -138.38 129.18 26.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 t -58.55 -15.82 12.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.0 t -84.81 -27.41 26.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 44' ' ' MET . 10.1 t -91.71 119.72 68.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -19.92 35.55 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.748 2.299 . . . . 0.0 112.298 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.505 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -71.84 -53.78 12.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 9.1 p -44.55 -26.12 0.33 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.4 mt -58.79 -62.42 1.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 44' ' ' MET . 4.4 p -59.69 -28.75 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.0 t -69.79 -37.61 73.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -67.6 -34.49 77.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -60.2 -50.28 74.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -68.58 -50.99 47.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.614 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.0 mt -43.95 -39.81 4.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -61.51 -44.37 97.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 81.7 t -72.33 -38.43 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.433 HD13 ' CD1' ' A' ' 116' ' ' LEU . 20.9 mt -64.11 -25.0 67.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.69 -46.5 65.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -77.17 -24.11 51.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -76.72 -46.7 24.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.574 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 65.0 m-85 -114.47 86.63 12.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.678 0.751 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -19.88 35.84 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -67.64 -35.86 79.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 90.9 m -89.73 131.91 35.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.09 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -90.61 107.92 19.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.955 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -94.32 136.65 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.8 m -144.54 140.68 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -117.87 121.55 41.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.83 132.88 35.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 69' ' ' VAL . 3.5 mp -71.37 152.34 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.656 ' O ' HG12 ' A' ' 69' ' ' VAL . 38.5 t -81.75 41.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -62.84 75.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 69' ' ' VAL . 10.3 t 66.56 52.76 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.7 t -92.63 -53.37 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.856 HG22 ' H ' ' A' ' 75' ' ' HIS . 67.8 mt -118.87 140.75 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -73.0 -24.27 60.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.856 ' H ' HG22 ' A' ' 73' ' ' ILE . 17.2 m170 -89.34 38.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.422 ' CE1' HD12 ' A' ' 73' ' ' ILE . 5.2 m-85 -131.51 114.24 14.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.532 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 12.8 p-80 -130.67 -47.27 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.532 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 6.1 t70 -173.54 167.84 4.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 53.69 36.77 24.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.68 -22.74 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.548 HD22 ' O ' ' A' ' 37' ' ' LEU . 58.8 mt -98.29 154.54 37.59 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.591 0.71 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.75 172.37 49.27 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.625 -1.823 . . . . 0.0 112.374 -0.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.824 ' HB ' HD12 ' A' ' 37' ' ' LEU . 52.8 m -148.41 125.76 11.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.6 mt -124.68 141.47 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.657 ' CZ ' ' CG2' ' A' ' 83' ' ' THR . 26.9 m-85 -139.58 127.17 21.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.425 HG22 HG22 ' A' ' 34' ' ' VAL . 33.4 t -105.75 129.9 58.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -120.82 130.71 54.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.571 ' HE2' ' CZ2' ' A' ' 32' ' ' TRP . 7.8 tppt? -100.42 -64.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -128.44 27.81 5.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 110.89 14.48 12.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -132.25 149.45 52.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 110.957 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 69.4 mt -75.58 91.83 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -64.78 -32.11 73.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.64 138.76 5.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.537 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.464 ' C ' ' CD1' ' A' ' 96' ' ' PHE . 43.3 pttt -129.76 155.76 45.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.8 m-85 -143.78 108.69 4.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.433 ' O ' ' CD ' ' A' ' 101' ' ' GLU . 5.4 mp -120.7 124.83 73.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.2 145.66 9.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.574 HG22 ' HA2' ' A' ' 104' ' ' GLY . 8.8 mm -51.09 -57.15 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.317 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.6 mt -61.27 -50.23 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.433 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 11.6 mt-10 -50.77 -31.4 16.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.573 ' O ' HD22 ' A' ' 107' ' ' LEU . 10.5 m -97.19 28.67 3.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.625 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 93.7 -44.87 2.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.574 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 104.92 162.52 23.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.483 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.867 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -51.19 -23.41 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.809 0.338 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.867 ' N ' HD12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -100.1 25.14 7.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.747 HD21 ' HB2' ' A' ' 112' ' ' LEU . 37.9 tp -68.88 128.34 36.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -82.29 178.03 8.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.5 tp -83.41 -29.33 28.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -84.32 -35.09 23.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -57.97 -59.64 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.747 ' HB2' HD21 ' A' ' 107' ' ' LEU . 61.2 tp -55.96 -34.95 66.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.852 ' O ' HD11 ' A' ' 122' ' ' ILE . 34.2 tt0 -56.34 -25.64 49.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.489 ' O ' ' N ' ' A' ' 117' ' ' SER . 17.1 t90 -82.05 -50.57 8.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -39.53 -50.19 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.481 HD22 HG11 ' A' ' 34' ' ' VAL . 15.3 mt -66.93 -29.87 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 114' ' ' TRP . 2.0 t -72.92 -58.77 3.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -43.54 -28.56 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 79.7 t -83.44 -33.34 9.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.464 ' O ' ' CZ2' ' A' ' 32' ' ' TRP . . . 118.39 1.67 15.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.558 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -69.39 -33.08 72.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.714 0.293 . . . . 0.0 111.043 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.852 HD11 ' O ' ' A' ' 113' ' ' GLU . 43.4 pt -146.19 -177.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.409 ' NE2' ' C ' ' A' ' 122' ' ' ILE . 6.0 mp0 -127.1 96.8 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.4 t -90.47 171.12 9.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -79.25 -34.59 42.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 127' ' ' GLU . 39.9 mt -60.59 112.09 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 126' ' ' LEU . 50.6 mm-40 -35.7 131.54 0.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -104.16 169.4 8.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -94.08 -49.77 5.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 12.0 p -40.56 -51.74 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 108.98 -126.17 8.03 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.73 46.0 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.252 . . . . 0.0 112.362 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.5 t -109.94 -53.37 2.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.7 t -108.22 136.16 48.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -69.31 130.52 42.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -115.17 136.18 53.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.36 175.38 31.8 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -150.26 124.75 9.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -154.7 157.82 38.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.11 175.25 29.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -105.66 8.48 33.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -129.25 -178.99 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.24 42.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -174.19 133.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.2 tp -68.49 115.0 7.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -107.92 176.35 5.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -132.45 128.79 38.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.7 pt -117.02 169.01 7.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.2 t -97.25 178.87 5.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -62.68 -72.04 0.72 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.432 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -42.27 -30.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 20' ' ' TYR . 79.6 mm-40 -74.51 -38.37 62.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.968 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.672 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.6 t80 -37.44 -46.34 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.41 ' C ' ' N ' ' A' ' 23' ' ' GLU . 94.7 t -68.68 -72.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -45.99 -20.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 21' ' ' VAL . 51.3 mm-40 -96.45 -75.16 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.2 t -59.89 -60.45 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.157 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.7 m -53.71 -59.22 4.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -83.13 31.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.46 ' CB ' HG21 ' A' ' 33' ' ' VAL . . . -73.76 161.01 30.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.456 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 4.7 tp10 -54.2 154.27 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -64.9 -66.11 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -82.82 48.72 1.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 4.7 tp -132.17 140.62 48.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.548 ' CE2' ' O ' ' A' ' 120' ' ' GLY . 96.2 m95 -103.03 100.98 10.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.46 HG21 ' CB ' ' A' ' 27' ' ' ALA . 67.8 t -96.09 105.19 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.43 HG11 HD22 ' A' ' 116' ' ' LEU . 53.5 t -104.04 108.49 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.672 HD13 ' CD2' ' A' ' 20' ' ' TYR . 8.5 tt -102.65 143.76 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.818 ' CE1' HG11 ' A' ' 48' ' ' VAL . 12.2 t-80 -131.96 104.31 6.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.596 HD22 ' HB ' ' A' ' 69' ' ' VAL . 28.2 mt -63.7 99.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.636 ' OH ' HD11 ' A' ' 68' ' ' ILE . 24.9 p90 -87.91 154.39 20.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.469 ' HD2' ' CD1' ' A' ' 81' ' ' LEU . 16.9 ttt85 -150.31 109.7 3.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.847 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.7 p -40.89 -27.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -87.81 30.78 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' ARG . 34.8 t -136.93 114.11 9.96 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.661 0.743 . . . . 0.0 111.096 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.504 ' HA ' ' CD1' ' A' ' 46' ' ' LEU . 54.6 Cg_endo -69.74 -27.01 27.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 0.0 112.396 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.567 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -65.47 -70.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 44' ' ' MET . 40.4 t -32.22 -38.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.504 ' CD1' ' HA ' ' A' ' 43' ' ' PRO . 95.2 mt -40.56 -59.32 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 44' ' ' MET . 2.9 p -67.23 -30.97 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.818 HG11 ' CE1' ' A' ' 36' ' ' HIS . 77.1 t -61.6 -45.27 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.427 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 4.3 t-20 -61.39 -36.9 81.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -55.15 -39.64 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.44 ' CG ' ' HA ' ' A' ' 109' ' ' LEU . 9.5 m-70 -79.93 -50.74 10.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.597 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.496 HD12 HG12 ' A' ' 48' ' ' VAL . 31.4 mt -47.82 -30.69 4.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.4 t -61.19 -58.03 10.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.1 p -73.07 -26.87 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.46 HD21 ' HG3' ' A' ' 113' ' ' GLU . 15.5 mt -68.26 -19.4 64.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.52 -40.49 35.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -83.17 -32.14 26.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.3 tttt -67.57 -47.32 70.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -118.6 90.67 40.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.597 0.713 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -24.85 29.23 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -56.24 -41.56 75.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.1 m -84.19 132.64 34.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.4 tttt -95.07 89.28 5.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -76.42 133.44 39.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.3 m -145.4 134.07 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.6 pttt -107.7 123.9 49.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.471 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -138.31 134.88 34.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.076 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.636 HD11 ' OH ' ' A' ' 38' ' ' TYR . 16.7 mt -78.86 138.72 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 69' ' ' VAL . 8.4 p -83.06 47.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -79.18 98.08 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.4 m 61.13 39.83 15.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.06 -47.23 8.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 11.9 tt -131.34 -1.9 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 42.14 41.63 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -124.0 -34.87 2.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -69.85 106.87 3.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.53 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 10.5 p-80 -101.37 -47.17 4.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.53 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 20.7 t70 -174.84 174.09 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 54.1 t30 47.94 50.0 16.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 13.2 m -132.71 -61.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.547 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 5.6 mt -59.98 150.91 67.59 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.573 0.701 . . . . 0.0 110.937 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.82 170.91 56.42 Favored 'Cis proline' 0 C--O 1.231 0.175 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.365 -0.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.523 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 52.0 m -146.04 125.82 13.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.9 mt -126.0 144.48 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 41.3 m-85 -142.16 128.85 20.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.3 t -106.07 128.3 60.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 21.0 m-85 -122.8 132.95 54.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -130.67 -38.58 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -132.44 44.79 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 73.2 16.95 78.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.519 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.434 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 20.9 mm-40 -129.68 -174.6 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.918 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.9 mt -105.68 86.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.23 -34.62 61.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.71 129.97 2.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.453 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.6 pttt -120.38 145.14 47.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 1.6 m-85 -135.17 108.23 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 5.0 mp -122.11 128.63 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.72 137.23 8.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.76 HG22 ' HA2' ' A' ' 104' ' ' GLY . 76.3 mt -46.38 -52.3 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 0.0 111.1 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.5 mt -59.13 -53.09 52.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 97' ' ' ILE . 16.4 mt-10 -50.13 -35.88 27.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.1 m -90.97 27.38 1.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.21 -49.57 2.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.76 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 117.55 171.6 15.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.646 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -57.9 -15.76 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.646 ' N ' HD12 ' A' ' 105' ' ' ILE . 4.1 p30 -105.43 16.94 24.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.663 HD11 ' HB2' ' A' ' 112' ' ' LEU . 6.4 tp -57.66 130.25 45.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 163.14 13.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.44 ' HA ' ' CG ' ' A' ' 51' ' ' HIS . 26.0 tp -60.26 -38.96 85.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -74.22 -47.45 35.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -45.0 -55.88 5.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.663 ' HB2' HD11 ' A' ' 107' ' ' LEU . 50.0 tp -61.02 -40.5 93.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.704 ' O ' HD11 ' A' ' 122' ' ' ILE . 14.2 tt0 -49.58 -40.79 39.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.625 ' HB2' HD23 ' A' ' 126' ' ' LEU . 22.5 t90 -69.12 -53.05 22.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -38.67 -50.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.43 HD22 HG11 ' A' ' 34' ' ' VAL . 5.4 mt -68.09 -30.33 69.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 114' ' ' TRP . 9.6 t -72.03 -61.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -39.9 -34.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 69.1 t -75.15 -38.58 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.548 ' O ' ' CE2' ' A' ' 32' ' ' TRP . . . 121.28 4.85 9.82 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.476 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.504 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -70.72 -47.5 59.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.734 0.302 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.704 HD11 ' O ' ' A' ' 113' ' ' GLU . 9.2 pt -130.14 -175.09 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -120.25 94.01 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.404 ' HB2' ' CB ' ' A' ' 117' ' ' SER . 1.8 m -79.62 174.97 11.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -110.91 -35.18 6.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.739 ' H ' HD22 ' A' ' 126' ' ' LEU . 0.2 OUTLIER -40.56 110.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -48.21 132.85 15.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.455 ' OE1' ' CZ2' ' A' ' 114' ' ' TRP . 13.5 tp10 -134.22 77.68 1.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 39.38 42.5 0.84 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 19.3 t -130.56 150.73 51.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -98.91 -179.02 31.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 129.84 18.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 80.8 p -161.06 143.43 12.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 50.9 m -72.53 110.18 6.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.547 -179.925 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.1 p -149.78 159.13 44.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 110.862 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -116.62 151.91 35.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.806 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.21 70.63 0.89 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.471 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -66.01 175.3 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.871 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 t -63.14 138.56 58.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.66 -154.05 0.18 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -108.52 -44.79 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -120.6 -174.82 2.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.66 44.26 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -174.51 141.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.449 HD22 ' HB3' ' A' ' 52' ' ' LEU . 23.2 tp -75.76 108.06 8.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -96.32 173.84 7.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -130.16 121.21 25.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 20' ' ' TYR . 46.0 pt -110.9 168.36 4.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.1 m -100.07 174.11 6.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.08 -70.83 0.82 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.444 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -45.49 -27.19 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -80.57 -35.74 33.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.582 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.4 t80 -41.9 -48.88 4.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.52 HG13 ' CB ' ' A' ' 25' ' ' THR . 86.9 t -68.04 -70.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -41.22 -24.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.549 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 6.2 mm-40 -97.83 -75.13 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.505 HG22 HG11 ' A' ' 33' ' ' VAL . 77.8 t -57.46 -53.46 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.52 ' CB ' HG13 ' A' ' 21' ' ' VAL . 57.4 m -64.43 -63.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -84.57 30.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -58.21 171.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.164 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.44 ' HB3' HD22 ' A' ' 31' ' ' LEU . 15.5 tp10 -59.33 153.29 19.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.839 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 21.0 tptm -60.92 130.67 47.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 55.63 41.9 30.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 28' ' ' GLU . 10.7 tp -112.08 140.24 46.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.449 ' CE2' ' O ' ' A' ' 120' ' ' GLY . 92.5 m95 -95.3 106.24 18.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.505 HG11 HG22 ' A' ' 24' ' ' VAL . 58.8 t -107.84 115.04 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 86' ' ' VAL . 93.4 t -111.49 112.54 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.582 HD13 ' CD2' ' A' ' 20' ' ' TYR . 7.4 tt -107.18 142.79 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 38' ' ' TYR . 2.6 t-160 -123.56 92.23 3.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.62 74.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.586 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 20.1 p90 -72.41 166.2 23.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' A' ' 42' ' ' VAL . 13.4 tpp180 -144.73 106.87 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 39' ' ' ARG . 16.5 m -36.38 -32.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' ARG . 6.1 m -84.04 31.76 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' ARG . 98.3 t -134.82 127.56 18.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.656 0.741 . . . . 0.0 111.104 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -44.83 1.84 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.636 2.224 . . . . 0.0 112.355 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.564 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -61.92 -60.29 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.477 ' H ' HG12 ' A' ' 42' ' ' VAL . 1.4 p -33.46 -37.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' MET . 89.7 mt -48.99 -62.99 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.564 HG12 ' O ' ' A' ' 44' ' ' MET . 2.6 p -60.25 -30.96 47.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.5 ' CG2' ' SD ' ' A' ' 44' ' ' MET . 58.2 t -63.6 -35.25 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -75.33 -37.42 60.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -55.43 -49.66 71.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.507 ' HB3' HD12 ' A' ' 109' ' ' LEU . 5.8 m-70 -64.32 -51.84 61.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.591 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.449 ' HB3' HD22 ' A' ' 12' ' ' LEU . 18.6 mt -40.41 -40.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.5 t -56.31 -46.66 79.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.8 t -75.65 -40.71 40.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.611 HD21 ' HG2' ' A' ' 113' ' ' GLU . 22.4 mt -64.29 -25.49 68.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.52 -39.79 85.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -84.63 -36.47 21.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -62.59 -45.92 90.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.426 ' CZ ' HD12 ' A' ' 122' ' ' ILE . 55.1 m-85 -114.57 87.75 14.81 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.65 0.738 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -28.41 25.51 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.729 2.286 . . . . 0.0 112.363 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -61.49 -58.67 7.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.7 m -65.99 122.79 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -79.61 118.51 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -109.16 128.98 55.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.3 m -140.29 139.88 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -116.49 127.79 54.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.85 129.68 24.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 69' ' ' VAL . 66.2 mt -70.26 155.29 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.458 ' N ' HG22 ' A' ' 68' ' ' ILE . 2.9 t -77.59 47.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -96.4 111.74 23.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t 65.56 36.36 6.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 4.3 t -112.48 -67.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 74' ' ' GLU . 7.9 mt -132.17 155.27 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.406 ' N ' HG22 ' A' ' 73' ' ' ILE . 45.3 mt-10 -92.12 160.6 15.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.9 m170 62.69 35.56 14.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 80' ' ' CYS . 5.9 m-85 -134.82 46.1 2.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.421 ' CD2' ' H ' ' A' ' 77' ' ' HIS . 6.9 p80 -73.47 -52.92 11.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -133.13 -32.68 1.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -75.85 166.29 23.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 76' ' ' TYR . 2.9 m 62.72 46.37 5.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.547 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 18.8 mt -152.82 151.23 26.15 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.566 0.698 . . . . 0.0 110.954 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.7 Cg_endo -69.73 169.0 65.35 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.358 -0.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.5 ' CG2' ' CZ ' ' A' ' 85' ' ' PHE . 55.3 m -133.22 131.14 39.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.469 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 2.3 mm -126.02 147.24 30.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.5 ' CZ ' ' CG2' ' A' ' 83' ' ' THR . 32.3 m-85 -146.67 119.4 8.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 34' ' ' VAL . 60.5 t -103.87 135.13 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -125.33 134.17 52.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . 22.4 tptp -117.73 -50.87 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -130.3 44.68 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.16 28.75 55.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -141.2 -175.38 4.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.764 0.316 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 88.1 mt -103.16 91.83 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.432 ' HG3' ' CB ' ' A' ' 88' ' ' LYS . 20.5 mm-40 -69.01 -29.02 67.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -173.02 139.6 5.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -133.89 149.81 51.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 115' ' ' LYS . 58.1 m-85 -134.18 90.33 2.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.0 mp -100.36 108.67 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 111.6 134.95 6.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.543 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.838 HG22 ' HA2' ' A' ' 104' ' ' GLY . 4.4 mp -35.27 -58.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.326 . . . . 0.0 111.114 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.2 mt -45.48 -52.79 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -58.28 -37.29 74.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.435 ' C ' ' HE3' ' A' ' 115' ' ' LYS . 1.8 m -74.97 -16.13 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 128.69 -34.36 2.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.838 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 128.2 144.91 5.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.929 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.4 pp -40.65 -33.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 111.157 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.929 ' N ' HD12 ' A' ' 105' ' ' ILE . 25.3 m120 -92.62 31.83 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 104' ' ' GLY . 5.4 tp -67.27 130.21 42.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -92.32 179.99 5.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.507 HD12 ' HB3' ' A' ' 51' ' ' HIS . 6.5 tp -73.8 -29.77 62.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -81.34 -46.04 15.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -50.88 -42.39 59.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.513 ' HB2' HD21 ' A' ' 107' ' ' LEU . 65.0 tp -71.23 -38.1 71.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.611 ' HG2' HD21 ' A' ' 55' ' ' LEU . 23.2 mt-10 -52.07 -28.64 18.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.493 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.8 t90 -74.86 -58.59 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 15.3 mttm -40.25 -44.73 1.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.54 ' CD1' HD13 ' A' ' 55' ' ' LEU . 15.6 mt -70.21 -31.71 69.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 120' ' ' GLY . 3.7 t -76.74 -61.96 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -39.84 -33.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 115' ' ' LYS . 73.3 t -75.03 -37.75 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 124.06 -0.59 9.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 116' ' ' LEU . . . -67.48 -46.46 72.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 111.077 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.497 HD11 ' O ' ' A' ' 113' ' ' GLU . 25.4 pt -135.81 -175.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -127.59 92.14 3.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.6 p -93.76 158.63 15.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -67.99 -43.13 79.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 49.8 mt -48.54 123.8 7.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -103.33 169.28 8.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -112.05 134.82 53.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -80.55 -61.15 2.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.4 t -155.2 156.13 35.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 159.79 126.84 0.87 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -9.7 26.77 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 35.9 t -57.65 -48.74 78.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.5 p -70.7 -3.2 17.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.478 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -149.38 120.1 7.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.844 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -166.84 178.41 5.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.27 166.91 27.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 m -154.55 178.5 10.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.911 0.386 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 t -60.06 -62.9 1.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.59 147.45 5.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -116.05 -41.51 3.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.552 ' CE2' ' HD2' ' A' ' 63' ' ' LYS . 4.0 m-85 -107.26 -175.93 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -176.02 37.78 0.1 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -175.0 154.08 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.5 tp -74.08 129.74 38.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -119.83 163.8 16.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -124.31 128.96 49.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 20' ' ' TYR . 8.0 pt -114.49 173.78 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -98.43 178.89 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -62.59 -74.18 0.44 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -39.91 -35.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.802 0.334 . . . . 0.0 110.907 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 20' ' ' TYR . 21.7 mm100 -69.12 -38.97 79.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.592 ' CE2' HD13 ' A' ' 35' ' ' ILE . 6.7 t80 -34.0 -52.55 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.43 HG13 ' CB ' ' A' ' 25' ' ' THR . 98.4 t -67.27 -70.06 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -43.65 -21.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.59 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 5.3 mm-40 -100.14 -76.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 20' ' ' TYR . 98.6 t -57.4 -55.37 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.43 ' CB ' HG13 ' A' ' 21' ' ' VAL . 61.5 m -62.16 -67.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -80.62 37.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -69.9 168.29 15.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.053 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -51.78 -174.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.27 -62.27 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -91.08 41.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 32' ' ' TRP . 14.6 tp -125.83 155.08 41.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.539 ' CE2' ' O ' ' A' ' 120' ' ' GLY . 92.2 m95 -121.8 106.16 11.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.436 ' CG1' HG22 ' A' ' 24' ' ' VAL . 67.3 t -98.35 98.83 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.196 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.549 HG22 HG22 ' A' ' 86' ' ' VAL . 74.8 t -97.39 98.7 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.592 HD13 ' CE2' ' A' ' 20' ' ' TYR . 18.7 tt -88.44 156.89 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -137.87 124.65 21.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.533 HD12 ' HB ' ' A' ' 83' ' ' THR . 36.7 mt -94.34 130.48 40.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -135.46 139.52 44.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.774 ' HG2' HG23 ' A' ' 42' ' ' VAL . 3.3 ptp180 -106.94 20.46 19.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 m 44.32 24.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.464 ' HB3' ' CD ' ' A' ' 39' ' ' ARG . 4.0 t -131.17 -32.29 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.774 HG23 ' HG2' ' A' ' 39' ' ' ARG . 9.6 t -86.06 135.28 37.47 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.716 . . . . 0.0 111.149 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 53.7 Cg_endo -69.81 -43.78 2.42 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.254 . . . . 0.0 112.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.88 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -49.96 -49.47 50.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.92 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 46' ' ' LEU . 2.3 p -60.93 -43.77 98.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.467 ' N ' ' SG ' ' A' ' 45' ' ' CYS . 36.1 mt -50.68 -55.45 16.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 44' ' ' MET . 3.3 p -61.92 -39.24 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 44' ' ' MET . 89.5 t -52.1 -44.58 40.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.647 ' HA ' HD12 ' A' ' 52' ' ' LEU . 29.4 t-20 -65.36 -40.77 94.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -46.77 -45.26 19.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.747 ' HB3' HD12 ' A' ' 109' ' ' LEU . 11.6 m-70 -73.94 -48.34 31.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 49' ' ' ASN . 40.3 mt -41.86 -34.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.6 t -58.25 -58.36 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 51' ' ' HIS . 13.2 p -70.92 -28.79 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.3 mt -72.38 -15.29 61.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.64 -43.92 21.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -77.87 -35.64 50.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -66.65 -44.29 82.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.427 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 29.8 m-85 -115.47 93.42 36.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 59' ' ' PHE . 53.1 Cg_endo -69.83 -35.51 12.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.312 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -54.9 -53.97 48.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.5 m -69.5 126.11 28.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.552 ' HD2' ' CE2' ' A' ' 9' ' ' PHE . 22.1 tttp -92.67 101.84 14.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -89.16 124.16 34.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.7 m -137.74 139.84 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.46 140.92 44.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.99 140.36 19.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.3 mt -76.18 122.3 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.484 HG23 HD12 ' A' ' 73' ' ' ILE . 9.6 p -73.24 -31.09 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.122 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -41.18 -39.56 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.7 t -101.17 -47.74 4.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 9.8 t -44.58 -50.46 9.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.623 HG22 ' H ' ' A' ' 75' ' ' HIS . 22.9 mt -124.63 137.47 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -109.91 39.23 2.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.623 ' H ' HG22 ' A' ' 73' ' ' ILE . 4.0 m170 -123.66 -33.92 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -54.19 120.39 6.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.467 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 25.4 p80 -105.5 -53.47 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.467 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 14.0 t0 -170.11 176.78 4.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 45.1 43.46 7.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.814 ' O ' HG23 ' A' ' 97' ' ' ILE . 4.3 m -124.25 -41.43 2.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.575 HD12 ' NE ' ' A' ' 39' ' ' ARG . 76.6 mt -84.56 148.4 51.93 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.603 0.716 . . . . 0.0 110.921 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.77 165.32 76.98 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.637 -1.818 . . . . 0.0 112.364 -0.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.533 ' HB ' HD12 ' A' ' 37' ' ' LEU . 86.8 m -138.78 118.33 12.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.455 HD11 HG11 ' A' ' 48' ' ' VAL . 60.6 mt -129.66 118.0 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -115.3 136.51 53.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.549 HG22 HG22 ' A' ' 34' ' ' VAL . 48.8 t -112.92 128.96 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -120.09 136.19 54.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.507 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 21.5 tptp -114.2 -62.98 1.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.437 ' CG ' ' HG3' ' A' ' 88' ' ' LYS . 0.5 OUTLIER -119.84 43.66 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.2 -0.24 87.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 92' ' ' ILE . 2.2 tt0 -120.98 153.91 36.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.773 0.32 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.471 ' N ' ' HG3' ' A' ' 91' ' ' GLN . 92.1 mt -73.68 113.33 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -89.28 -33.84 16.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.18 118.29 0.8 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -114.42 158.52 21.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -141.91 106.81 4.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.814 HG23 ' O ' ' A' ' 80' ' ' CYS . 5.4 mp -120.04 113.25 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.08 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.55 139.46 8.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.481 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.602 HG12 HG23 ' A' ' 105' ' ' ILE . 2.5 mp -39.68 -59.3 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.681 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.2 mp -51.14 -57.43 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 97' ' ' ILE . 14.9 mt-10 -50.93 -31.68 18.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.438 ' C ' ' HE3' ' A' ' 115' ' ' LYS . 1.8 m -82.68 -19.48 38.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 126.79 -33.29 3.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.52 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.471 ' HA2' ' CG2' ' A' ' 99' ' ' ILE . . . 135.71 142.27 4.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.721 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.6 pp -45.06 -24.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 111.098 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.721 ' N ' HD12 ' A' ' 105' ' ' ILE . 24.3 m-20 -99.03 29.01 4.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.696 HD21 ' HB2' ' A' ' 112' ' ' LEU . 57.2 tp -57.11 117.85 4.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -74.45 162.99 28.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.747 HD12 ' HB3' ' A' ' 51' ' ' HIS . 26.7 tp -58.94 -40.37 84.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -76.63 -43.96 36.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -44.64 -53.27 7.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.696 ' HB2' HD21 ' A' ' 107' ' ' LEU . 61.0 tp -62.77 -43.59 98.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.714 ' O ' HD11 ' A' ' 122' ' ' ILE . 44.5 tt0 -43.46 -37.38 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.616 ' HB2' HD23 ' A' ' 126' ' ' LEU . 24.0 t90 -69.06 -56.72 6.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 119' ' ' VAL . 13.4 mttm -39.67 -47.83 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.427 HD22 HG11 ' A' ' 34' ' ' VAL . 14.1 mt -68.16 -30.83 70.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 120' ' ' GLY . 4.0 t -75.53 -61.06 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -39.61 -31.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 115' ' ' LYS . 98.1 t -76.94 -38.28 28.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.539 ' O ' ' CE2' ' A' ' 32' ' ' TRP . . . 121.42 10.24 6.71 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.52 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -79.47 -45.45 19.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 111.119 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.714 HD11 ' O ' ' A' ' 113' ' ' GLU . 33.8 pt -132.15 -177.42 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.59 89.25 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.2 p -80.31 175.32 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 126' ' ' LEU . 25.9 m-20 -103.55 -33.79 8.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.616 HD23 ' HB2' ' A' ' 114' ' ' TRP . 0.2 OUTLIER -37.64 139.64 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 126' ' ' LEU . 7.4 mm-40 -33.99 108.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -164.76 152.4 11.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -81.29 42.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.2 t -145.72 167.43 23.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 105.4 89.3 2.1 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.547 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -35.52 12.58 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.3 p 46.25 42.73 10.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.4 t -88.73 -47.38 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.454 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 p -46.31 172.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 110.89 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.3 p -73.87 172.92 10.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.49 -138.43 5.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -169.05 124.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.935 0.398 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 t -89.93 40.0 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.492 ' CA ' ' HB2' ' A' ' 60' ' ' PRO . . . -49.82 175.85 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.519 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -114.38 -45.46 3.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -121.68 -68.63 0.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.55 41.8 8.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -175.01 154.93 1.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.6 tp -88.15 121.32 30.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -106.07 170.53 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -128.12 133.14 48.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 20' ' ' TYR . 42.7 pt -127.53 174.13 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -106.98 -179.15 3.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.4 -43.74 96.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -63.24 -36.52 83.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' TYR . 32.1 mt-30 -77.24 -36.46 54.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.561 ' HA ' HD12 ' A' ' 15' ' ' ILE . 1.6 t80 -35.56 -50.71 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.404 ' C ' ' N ' ' A' ' 23' ' ' GLU . 57.3 t -69.65 -64.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -49.13 -17.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 7.1 mm-40 -105.06 -75.43 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.566 ' HA ' HG11 ' A' ' 33' ' ' VAL . 46.4 t -55.8 -58.52 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 21' ' ' VAL . 86.5 m -60.89 -69.61 0.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -80.38 38.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.636 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -64.5 172.39 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -59.36 158.84 8.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -55.15 135.26 49.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 42.59 49.55 4.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.636 HD23 ' HB1' ' A' ' 27' ' ' ALA . 57.1 tp -111.06 116.14 30.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.566 ' CE3' ' HA ' ' A' ' 121' ' ' ALA . 83.6 m95 -74.61 99.06 3.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.566 HG11 ' HA ' ' A' ' 24' ' ' VAL . 59.4 t -101.11 114.54 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 86' ' ' VAL . 85.6 t -112.57 106.82 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.552 HD13 ' CE2' ' A' ' 20' ' ' TYR . 16.8 tt -99.39 159.49 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -150.53 111.18 4.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.532 HD23 ' O ' ' A' ' 67' ' ' ALA . 8.9 mt -74.04 114.04 11.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -114.53 159.02 20.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.533 ' HE ' HG23 ' A' ' 42' ' ' VAL . 6.4 ptt180 -175.26 129.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.492 ' O ' ' C ' ' A' ' 41' ' ' SER . 36.2 t -35.77 -58.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.492 ' C ' ' O ' ' A' ' 40' ' ' SER . 58.4 m -31.07 -43.34 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.533 HG23 ' HE ' ' A' ' 39' ' ' ARG . 15.6 t -91.85 129.15 43.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.6 0.714 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -51.22 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.372 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.851 ' SD ' HG23 ' A' ' 99' ' ' ILE . 7.8 mtp -54.34 -54.11 44.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 70.2 m -38.36 -38.22 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.06 -68.49 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.2 p -50.66 -38.41 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 44' ' ' MET . 96.1 t -62.21 -40.16 86.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.531 ' HA ' HD12 ' A' ' 52' ' ' LEU . 3.0 m-20 -57.25 -44.94 84.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -54.95 -49.59 70.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -56.68 -46.43 81.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.595 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 49' ' ' ASN . 27.4 mt -52.4 -41.97 63.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.4 t -54.79 -38.47 67.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.2 t -80.26 -41.55 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 40.9 mt -63.72 -28.01 69.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.3 -49.23 74.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -72.26 -36.13 68.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.4 tttp -62.46 -49.51 75.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.588 ' CZ ' HD12 ' A' ' 122' ' ' ILE . 40.4 m-85 -112.84 91.64 18.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.492 ' HB2' ' CA ' ' A' ' 7' ' ' GLY . 53.9 Cg_endo -69.82 -36.08 11.3 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.322 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -55.36 -54.89 38.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.6 m -68.83 120.35 14.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -76.34 116.83 17.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.36 126.24 51.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.8 m -139.61 142.58 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.02 141.75 49.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.532 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -162.46 138.96 7.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 32.1 mt -72.82 142.06 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 69' ' ' VAL . 7.7 p -78.61 44.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -86.11 119.69 26.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.5 t 60.97 30.22 19.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 3.7 m -99.71 -45.27 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.2 tt -146.23 164.6 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 75' ' ' HIS . 12.5 tt0 -97.01 -55.04 2.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 74' ' ' GLU . 14.4 m170 -34.04 -65.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.403 ' CD2' ' HB2' ' A' ' 80' ' ' CYS . 3.3 m-85 -39.11 116.63 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.408 ' CG ' ' H ' ' A' ' 78' ' ' ASP . 5.4 p80 -128.87 -60.06 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.408 ' H ' ' CG ' ' A' ' 77' ' ' HIS . 12.0 t70 -134.95 -69.44 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -72.74 65.3 0.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.744 ' O ' HG23 ' A' ' 97' ' ' ILE . 27.1 p -132.87 -42.93 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.536 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 26.5 mt -96.57 152.09 38.38 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.601 0.715 . . . . 0.0 110.922 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.75 163.75 80.97 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.371 -0.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.619 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 54.8 m -138.96 141.18 38.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 70.6 mt -143.52 121.47 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.619 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 77.7 m-85 -123.17 136.68 54.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 34' ' ' VAL . 24.6 t -111.96 115.36 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.593 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 43.5 m-85 -115.48 128.82 56.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.509 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 19.5 ttpt -122.1 -60.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -109.13 38.87 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.49 18.15 76.39 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.593 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 42.7 mt-30 -126.51 -174.93 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 110.889 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 79.2 mt -104.68 85.05 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -55.18 -35.18 64.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.88 126.26 1.33 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.527 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.53 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 14.9 pttm -115.43 148.16 39.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 5.8 m-85 -140.32 105.0 4.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.744 HG23 ' O ' ' A' ' 80' ' ' CYS . 5.0 mp -124.43 129.41 73.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 99' ' ' ILE . . . 112.69 124.52 4.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.851 HG23 ' SD ' ' A' ' 44' ' ' MET . 60.9 mt -35.59 -53.58 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 111.129 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.2 mt -64.4 -49.46 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 25.5 mt-10 -51.42 -33.02 28.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.7 t -90.2 23.31 2.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.07 -46.68 1.69 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.43 160.42 11.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.647 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.7 pp -50.41 -20.47 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 111.142 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.647 ' N ' HD12 ' A' ' 105' ' ' ILE . 3.5 p30 -101.79 25.75 8.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.42 HD21 ' HB2' ' A' ' 112' ' ' LEU . 7.9 tp -67.8 122.21 17.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -80.94 162.65 23.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 29.1 tp -61.71 -40.15 94.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 111' ' ' GLU . 19.9 pt-20 -73.24 -42.04 63.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 4.6 mm-40 -47.37 -54.78 10.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.42 ' HB2' HD21 ' A' ' 107' ' ' LEU . 63.9 tp -58.94 -43.57 91.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.401 ' O ' HD11 ' A' ' 122' ' ' ILE . 13.5 tt0 -43.61 -41.29 4.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.49 ' HB2' HD12 ' A' ' 126' ' ' LEU . 24.0 t90 -67.47 -56.48 9.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -38.04 -52.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.485 HD22 HG11 ' A' ' 34' ' ' VAL . 13.3 mt -65.91 -31.95 73.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 120' ' ' GLY . 3.7 t -72.53 -62.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -38.93 -37.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 71.5 t -72.72 -38.13 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 121.35 3.07 10.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.566 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -68.65 -40.38 80.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.328 . . . . 0.0 111.097 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.588 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 34.6 pt -140.39 -176.02 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -125.4 102.56 7.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.1 p -101.88 160.33 14.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -57.97 -42.13 84.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 114' ' ' TRP . 10.6 mt -58.87 108.78 0.7 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.75 152.46 26.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.403 ' OE1' ' C ' ' A' ' 128' ' ' GLU . 0.1 OUTLIER -149.62 111.05 4.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.36 110.71 17.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.7 t -105.16 80.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.406 ' HA3' ' HD2' ' A' ' 132' ' ' PRO . . . 79.67 -128.26 8.43 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.449 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.406 ' HD2' ' HA3' ' A' ' 131' ' ' GLY . 53.5 Cg_endo -69.8 141.43 45.04 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.311 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.6 t -91.03 -50.86 5.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 36.9 t -124.92 138.53 54.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -105.07 -59.06 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 56.25 31.3 18.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.74 142.23 16.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -46.02 172.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.378 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -55.48 107.62 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.911 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.67 -169.32 15.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -106.02 -56.17 2.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -116.64 -70.78 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.34 49.25 5.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.49 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.441 ' OE2' ' C ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -175.11 168.24 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 0.0 110.88 -179.838 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.441 ' C ' ' OE2' ' A' ' 11' ' ' GLU . 29.8 tp -107.63 126.78 53.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' HG2' ' CD ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -121.78 -177.96 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -133.69 134.9 43.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 20' ' ' TYR . 42.8 pt -122.79 167.46 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.7 p -96.52 178.99 5.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.52 -49.89 66.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -58.83 -32.54 69.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -79.64 -32.69 41.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.837 ' CE2' HD13 ' A' ' 35' ' ' ILE . 3.3 t80 -38.62 -52.48 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.503 HG13 ' CB ' ' A' ' 25' ' ' THR . 53.2 t -67.94 -70.21 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -43.16 -22.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.441 ' O ' ' CA ' ' A' ' 27' ' ' ALA . 69.6 mm-40 -98.37 -75.57 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.453 HG22 HG11 ' A' ' 33' ' ' VAL . 24.7 t -60.13 -58.35 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.503 ' CB ' HG13 ' A' ' 21' ' ' VAL . 89.5 m -56.84 -67.51 0.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -83.07 34.23 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.522 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -58.99 166.48 2.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.517 ' HB3' HD22 ' A' ' 31' ' ' LEU . 21.6 tt0 -50.5 154.49 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.456 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -50.84 139.09 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.413 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 5.1 p-10 37.77 49.83 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.522 HD23 ' HB1' ' A' ' 27' ' ' ALA . 12.8 tp -115.49 123.9 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.558 ' CZ3' ' HG3' ' A' ' 93' ' ' GLU . 73.8 m95 -84.04 112.12 19.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.715 HG13 ' HG2' ' A' ' 63' ' ' LYS . 91.1 t -110.64 120.39 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.534 HG11 HD22 ' A' ' 116' ' ' LEU . 91.7 t -109.6 109.9 30.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.837 HD13 ' CE2' ' A' ' 20' ' ' TYR . 9.3 tt -98.62 145.8 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -137.23 112.74 9.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.507 HD12 ' HB ' ' A' ' 83' ' ' THR . 8.6 mt -79.21 99.55 7.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -90.29 157.57 17.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -151.03 122.45 7.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -53.49 -25.98 18.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 65.6 m -71.21 -33.77 70.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 t -90.94 120.16 68.74 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -25.27 28.69 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -51.24 60.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 46' ' ' LEU . 1.9 p -42.27 -42.34 3.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.438 ' N ' ' SG ' ' A' ' 45' ' ' CYS . 85.4 mt -45.3 -59.55 2.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.431 HG12 ' NE2' ' A' ' 51' ' ' HIS . 21.6 t -55.12 -41.1 57.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.4 t -61.62 -41.75 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -67.02 -32.29 73.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -63.79 -41.68 97.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.431 ' NE2' HG12 ' A' ' 47' ' ' VAL . 31.8 m-70 -73.19 -51.11 19.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.579 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.6 mt -47.11 -23.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -71.7 -55.38 7.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.8 p -72.42 -29.16 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.36 -17.75 62.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.419 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -80.11 -43.75 21.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.078 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.79 -27.49 55.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HG2' ' CE1' ' A' ' 59' ' ' PHE . 40.7 tttt -74.49 -44.23 52.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.405 ' CE1' ' HG2' ' A' ' 58' ' ' LYS . 36.7 m-85 -117.02 83.75 15.31 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.694 0.759 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.65 30.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.307 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -70.26 -25.0 63.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.4 m -95.75 129.38 42.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.715 ' HG2' HG13 ' A' ' 33' ' ' VAL . 0.5 OUTLIER -74.58 136.99 42.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.419 ' CD2' ' HA ' ' A' ' 56' ' ' ALA . 88.9 m-85 -131.56 112.37 12.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.46 148.54 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -129.32 143.16 50.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -143.77 154.54 43.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.8 mt -95.24 143.33 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.8 m -91.0 44.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -74.74 -50.5 17.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 m -129.88 43.5 3.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 8.9 t -104.75 -55.75 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 34.1 mt -141.61 121.8 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 75' ' ' HIS . 6.9 mm-40 -69.48 -44.6 70.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 74' ' ' GLU . 10.8 m170 -35.47 -34.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 74' ' ' GLU . 5.3 m-85 -64.47 128.35 35.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -129.36 -56.56 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -174.76 173.69 2.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 56.08 44.18 25.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 29.0 p -133.88 -44.33 0.8 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 16.2 mt -72.64 153.22 91.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.566 0.698 . . . . 0.0 110.949 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.72 176.94 30.51 Favored 'Cis proline' 0 C--O 1.232 0.212 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.39 -0.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.507 ' HB ' HD12 ' A' ' 37' ' ' LEU . 27.5 m -149.64 133.83 17.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.6 mt -135.32 141.01 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.409 ' O ' HG22 ' A' ' 35' ' ' ILE . 48.3 m-85 -139.78 109.88 6.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.5 t -88.7 136.63 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.51 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 23.9 m-85 -125.01 134.14 52.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.956 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -110.67 -57.93 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -128.77 39.79 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 90.04 21.97 37.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.51 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 1.0 OUTLIER -130.66 -175.43 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.32 . . . . 0.0 110.936 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.508 HG21 ' HE2' ' A' ' 95' ' ' LYS . 39.7 mt -104.57 83.62 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.558 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 40.0 mm-40 -56.81 -37.58 71.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -161.67 136.91 4.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.508 ' HE2' HG21 ' A' ' 92' ' ' ILE . 15.3 ptpt -129.9 144.53 51.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.329 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.466 ' CE2' ' HB3' ' A' ' 115' ' ' LYS . 3.0 m-85 -134.12 105.73 6.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.7 mp -117.18 117.52 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 118.57 130.74 4.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.426 HG22 ' HA2' ' A' ' 104' ' ' GLY . 97.2 mt -43.63 -45.79 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 111.096 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.464 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.1 mp -71.73 -40.14 69.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.43 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 13.2 mt-10 -61.04 -23.42 65.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.416 ' C ' ' HE3' ' A' ' 115' ' ' LYS . 30.5 t -101.33 22.32 12.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.29 -41.42 2.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 107' ' ' LEU . . . 109.93 159.96 18.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 1.026 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.3 pp -44.58 -25.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 111.122 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 1.026 ' N ' HD12 ' A' ' 105' ' ' ILE . 25.8 m120 -90.17 24.2 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.805 HD21 ' HB2' ' A' ' 112' ' ' LEU . 63.5 tp -62.65 119.02 8.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -88.84 147.03 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.0 tp -43.69 -31.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -80.72 -52.93 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -40.99 -54.52 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.805 ' HB2' HD21 ' A' ' 107' ' ' LEU . 45.1 tp -65.7 -35.7 81.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.502 ' O ' HD11 ' A' ' 122' ' ' ILE . 34.4 tt0 -56.92 -35.55 69.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.757 ' HB2' HD23 ' A' ' 126' ' ' LEU . 23.6 t90 -73.86 -54.49 7.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.607 ' O ' HG23 ' A' ' 119' ' ' VAL . 30.2 mttm -38.65 -51.78 1.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.534 HD22 HG11 ' A' ' 34' ' ' VAL . 17.2 mt -65.75 -31.12 71.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 114' ' ' TRP . 1.9 t -72.98 -62.45 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -40.21 -27.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 115' ' ' LYS . 81.6 t -78.91 -39.31 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 123.76 2.23 8.78 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.18 -45.37 60.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.725 0.298 . . . . 0.0 111.067 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.502 HD11 ' O ' ' A' ' 113' ' ' GLU . 35.8 pt -134.64 -175.33 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -122.12 103.2 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.473 ' HB2' HD22 ' A' ' 126' ' ' LEU . 52.4 p -88.88 178.41 6.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -113.46 -26.65 8.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.757 HD23 ' HB2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -54.33 117.46 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 128' ' ' GLU . 9.3 pt-20 -116.88 133.05 56.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 127' ' ' GLU . 4.8 tt0 36.79 42.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -71.5 -49.34 42.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.8 t -134.33 169.14 17.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -66.76 127.71 28.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 109.24 2.27 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.682 2.255 . . . . 0.0 112.342 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 70.9 m -159.26 134.06 8.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 26.2 t -53.42 -53.06 56.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 m -148.72 148.67 30.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.371 . . . . 0.0 110.848 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -161.95 171.61 17.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.38 69.31 0.25 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -95.18 169.84 9.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.39 . . . . 0.0 110.801 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 p -65.91 -43.25 88.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.821 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.62 167.63 13.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -121.98 -41.93 2.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.786 0.326 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -105.05 -176.07 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.67 41.81 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -175.35 162.58 2.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.3 tp -83.83 126.26 32.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -115.39 -178.22 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -137.64 147.19 44.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 20' ' ' TYR . 37.9 pt -134.31 171.21 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.9 p -102.68 177.5 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -57.49 -74.77 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.457 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -39.88 -33.05 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.762 0.315 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 20' ' ' TYR . 16.0 mm-40 -75.69 -39.55 57.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.702 ' CE2' HD13 ' A' ' 35' ' ' ILE . 2.1 t80 -35.4 -48.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.595 HG13 ' CB ' ' A' ' 25' ' ' THR . 91.9 t -73.57 -67.02 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -46.55 -18.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.947 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 5.5 mm-40 -101.36 -68.85 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.411 HG12 ' CG ' ' A' ' 87' ' ' TYR . 39.8 t -66.62 -51.76 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.595 ' CB ' HG13 ' A' ' 21' ' ' VAL . 28.7 m -66.95 -68.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -78.27 40.09 0.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.947 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -81.62 166.61 20.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' HB3' ' CB ' ' A' ' 31' ' ' LEU . 22.1 tt0 -53.89 151.68 6.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' LYS . 10.8 tttm -64.06 -59.54 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -89.22 50.83 2.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' CB ' ' HB3' ' A' ' 28' ' ' GLU . 5.9 tp -138.7 138.53 37.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.551 ' CZ2' ' HE3' ' A' ' 88' ' ' LYS . 91.3 m95 -102.46 119.59 39.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.1 t -113.92 101.99 13.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.594 HG22 HG22 ' A' ' 86' ' ' VAL . 94.6 t -97.71 101.31 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.702 HD13 ' CE2' ' A' ' 20' ' ' TYR . 13.0 tt -92.83 146.5 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.468 ' CE1' ' HB ' ' A' ' 48' ' ' VAL . 6.2 t-160 -130.18 102.08 6.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.459 HD22 HG22 ' A' ' 69' ' ' VAL . 83.0 mt -64.71 120.31 12.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.455 ' CD1' ' HB2' ' A' ' 66' ' ' LYS . 16.4 p90 -128.32 141.93 51.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.731 ' CG ' HG23 ' A' ' 42' ' ' VAL . 2.0 ptp180 -117.96 24.5 10.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 39' ' ' ARG . 1.2 t 37.43 27.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' ARG . 1.9 m -131.5 -32.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.731 HG23 ' CG ' ' A' ' 39' ' ' ARG . 5.2 t -78.56 136.34 59.8 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.623 0.725 . . . . 0.0 111.156 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 53.8 Cg_endo -69.76 -36.42 10.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.365 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.405 ' SD ' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -58.95 -40.25 84.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.42 -51.32 47.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.2 mt -43.86 -45.42 7.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.441 HG12 ' NE2' ' A' ' 51' ' ' HIS . 90.2 t -67.35 -44.5 87.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.468 ' HB ' ' CE1' ' A' ' 36' ' ' HIS . 54.0 t -58.44 -44.12 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -59.65 -40.55 88.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -57.16 -46.86 82.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.486 ' CB ' HD23 ' A' ' 112' ' ' LEU . 20.0 m-70 -68.06 -51.39 47.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.631 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.456 ' CD1' HG12 ' A' ' 48' ' ' VAL . 55.7 mt -51.98 -38.26 56.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.9 t -54.69 -57.21 12.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.0 p -72.06 -29.8 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.8 mt -71.22 -18.57 62.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.438 ' HA ' ' CD1' ' A' ' 64' ' ' PHE . . . -76.38 -43.04 42.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.078 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -80.23 -38.62 30.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -64.3 -43.87 93.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -116.34 92.31 36.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.718 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -33.42 16.52 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.661 2.24 . . . . 0.0 112.361 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -54.04 -49.47 68.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 87.2 m -70.95 127.06 31.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -93.37 89.76 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.438 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 40.4 m-85 -76.37 135.29 39.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.7 m -150.07 137.2 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . 28.7 pttt -110.03 137.59 47.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.08 134.59 38.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 85.6 mt -73.49 137.03 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.586 ' O ' HG12 ' A' ' 69' ' ' VAL . 42.3 t -75.71 52.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -95.8 94.23 7.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.5 t 52.6 42.02 31.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 97.4 m -103.52 -47.85 4.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.2 mt -122.39 134.01 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -83.23 168.17 17.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 63.7 41.29 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -131.39 83.76 2.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.502 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 12.4 p-80 -95.15 -46.7 6.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.502 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 15.1 t70 -175.11 173.52 2.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 56.02 39.31 30.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.413 ' O ' HG23 ' A' ' 97' ' ' ILE . 6.0 p -128.24 -34.03 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.54 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 25.1 mt -90.24 154.77 46.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.71 173.52 44.09 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.309 -0.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.541 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 51.5 m -147.35 141.72 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.602 HG23 ' O ' ' A' ' 35' ' ' ILE . 58.7 mt -143.74 136.32 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.184 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.541 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 71.8 m-85 -133.25 118.58 18.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.594 HG22 HG22 ' A' ' 34' ' ' VAL . 43.1 t -92.55 127.28 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.411 ' CG ' HG12 ' A' ' 24' ' ' VAL . 14.0 m-85 -118.93 132.76 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.551 ' HE3' ' CZ2' ' A' ' 32' ' ' TRP . 18.8 tptp -124.07 -48.4 1.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -126.42 41.97 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.5 23.52 67.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -134.7 -174.43 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.627 HG21 ' HE2' ' A' ' 95' ' ' LYS . 81.9 mt -105.72 84.14 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.106 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -54.13 -36.16 62.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -163.75 123.88 1.22 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.627 ' HE2' HG21 ' A' ' 92' ' ' ILE . 18.8 ptpt -115.58 148.4 39.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 2.3 m-85 -137.4 105.36 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.487 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.6 mp -118.24 119.44 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 117.93 137.89 5.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.519 HD13 ' CD ' ' A' ' 82' ' ' PRO . 39.1 mm -41.14 -62.32 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 111.111 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 25.7 mt -57.68 -51.84 65.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.458 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 11.8 mt-10 -47.59 -37.62 12.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.612 ' O ' HD22 ' A' ' 107' ' ' LEU . 1.8 m -90.56 28.75 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.452 ' HA3' HD22 ' A' ' 107' ' ' LEU . . . 97.56 -53.2 1.3 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.543 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.471 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 117.64 162.64 12.55 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.577 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -55.91 -16.81 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.339 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.577 ' N ' HD12 ' A' ' 105' ' ' ILE . 11.9 p30 -111.66 25.46 11.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.875 HD21 ' HB2' ' A' ' 112' ' ' LEU . 22.9 tp -71.2 125.91 28.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -78.02 165.44 24.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 51' ' ' HIS . 30.1 tp -66.24 -38.68 88.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -73.56 -44.64 56.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -48.71 -56.71 7.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.875 ' HB2' HD21 ' A' ' 107' ' ' LEU . 40.9 tp -55.45 -45.36 76.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.433 ' O ' HD11 ' A' ' 122' ' ' ILE . 37.7 tt0 -45.99 -42.34 13.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.452 ' O ' ' N ' ' A' ' 117' ' ' SER . 23.0 t90 -60.11 -52.45 65.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.498 ' O ' HG23 ' A' ' 119' ' ' VAL . 35.2 mttm -40.43 -49.33 2.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.3 mt -68.52 -31.16 70.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 120' ' ' GLY . 13.9 t -72.72 -62.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -40.49 -35.08 0.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 115' ' ' LYS . 89.2 t -72.67 -39.11 60.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.506 ' O ' ' CZ2' ' A' ' 32' ' ' TRP . . . 122.67 8.35 6.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.513 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -75.78 -47.43 25.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.744 0.307 . . . . 0.0 111.08 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.433 HD11 ' O ' ' A' ' 113' ' ' GLU . 23.5 pt -132.9 179.89 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -118.69 99.89 7.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.3 p -99.66 147.02 25.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -49.93 -48.73 51.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 28.1 mt -52.47 109.15 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -102.17 143.75 31.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.41 ' CD ' ' CZ2' ' A' ' 114' ' ' TRP . 10.2 mt-10 -156.47 166.69 32.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -88.64 43.51 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.2 p -38.03 -39.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 135.73 160.68 8.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 105.37 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.33 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 92.3 p -104.69 167.67 9.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 54.3 m -133.1 123.33 25.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.445 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 m -73.5 124.39 25.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.84 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -43.12 160.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.65 -120.62 0.54 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 p -66.04 172.86 3.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 m -80.36 43.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.504 ' HA3' ' CB ' ' A' ' 60' ' ' PRO . . . 73.7 170.21 20.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.478 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.583 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 1.4 ptmm? -121.48 -16.23 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.583 ' CE1' ' HG3' ' A' ' 8' ' ' LYS . 13.5 m-85 -122.32 -72.68 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.09 40.25 95.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.84 159.33 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 0.0 110.862 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.9 tp -97.5 133.34 42.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.2 mmm-85 -120.76 177.94 4.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -135.28 138.85 43.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 20' ' ' TYR . 30.3 pt -132.51 168.42 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 p -99.51 177.92 5.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 20' ' ' TYR . . . -58.05 -75.48 0.26 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.408 ' O ' ' OD1' ' A' ' 22' ' ' ASN . 40.9 m-20 -39.07 -34.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 20' ' ' TYR . 13.7 mm-40 -72.7 -40.19 66.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.754 ' CD2' HD13 ' A' ' 35' ' ' ILE . 1.9 t80 -33.74 -47.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.409 ' C ' ' N ' ' A' ' 23' ' ' GLU . 88.0 t -69.32 -69.45 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.147 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 18' ' ' ASN . 1.5 m120 -45.21 -21.18 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.587 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 74.9 mm-40 -100.14 -75.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.519 HG12 ' CG ' ' A' ' 87' ' ' TYR . 47.0 t -57.26 -54.93 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.5 m -63.38 -66.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.172 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -81.75 37.8 0.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 23' ' ' GLU . . . -67.51 171.24 6.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.759 ' HB3' HD22 ' A' ' 31' ' ' LEU . 4.3 tp10 -50.96 147.25 5.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 23.0 tttp -56.82 137.39 54.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER 46.0 48.26 12.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.759 HD22 ' HB3' ' A' ' 28' ' ' GLU . 6.0 tp -122.72 140.48 52.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.555 ' CZ3' ' HG3' ' A' ' 93' ' ' GLU . 94.3 m95 -90.38 127.13 36.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.418 HG11 ' HA ' ' A' ' 24' ' ' VAL . 98.9 t -126.64 111.55 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.489 HG22 HG22 ' A' ' 86' ' ' VAL . 68.9 t -105.49 103.79 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.754 HD13 ' CD2' ' A' ' 20' ' ' TYR . 8.4 tt -96.07 143.62 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -131.86 124.85 30.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.703 HD12 ' HB ' ' A' ' 83' ' ' THR . 10.7 mt -95.44 146.24 24.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.436 ' CB ' ' HB2' ' A' ' 45' ' ' CYS . 21.0 p90 -146.0 139.6 26.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.682 ' CG ' HG23 ' A' ' 42' ' ' VAL . 13.3 ptm180 -110.71 23.15 14.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.6 m 40.51 25.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 39' ' ' ARG . 3.6 p -128.02 -30.16 2.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.682 HG23 ' CG ' ' A' ' 39' ' ' ARG . 2.3 t -81.15 136.79 49.71 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.646 0.736 . . . . 0.0 111.162 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.489 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 54.1 Cg_endo -69.75 -10.36 28.38 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' ' 46' ' ' LEU . 7.5 mtp -87.2 -59.4 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.436 ' HB2' ' CB ' ' A' ' 38' ' ' TYR . 16.4 p -37.63 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 44' ' ' MET . 69.5 mt -68.44 -64.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 44' ' ' MET . 6.4 p -55.45 -38.89 50.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.14 -41.98 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -58.09 -43.95 87.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -58.07 -46.29 85.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 109' ' ' LEU . 10.4 m-70 -61.65 -47.96 83.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.8 mt -45.37 -56.24 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.1 p -47.54 -39.03 15.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.4 t -77.73 -36.45 22.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.534 HD13 ' CD1' ' A' ' 116' ' ' LEU . 30.8 mt -69.04 -30.69 69.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.446 ' HA ' ' CD2' ' A' ' 64' ' ' PHE . . . -66.34 -47.25 74.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.094 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -75.12 -29.26 60.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.59 ' HE3' ' CZ ' ' A' ' 59' ' ' PHE . 29.3 ttpt -71.58 -47.2 56.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.59 ' CZ ' ' HE3' ' A' ' 58' ' ' LYS . 33.2 m-85 -121.61 94.42 48.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.671 0.748 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.504 ' CB ' ' HA3' ' A' ' 7' ' ' GLY . 53.5 Cg_endo -69.73 -35.14 13.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.707 2.271 . . . . 0.0 112.353 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -55.1 -44.68 75.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.5 m -78.38 125.09 28.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -75.24 141.52 43.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.446 ' CD2' ' HA ' ' A' ' 56' ' ' ALA . 98.0 m-85 -131.96 120.15 22.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.1 m -143.23 138.91 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.89 138.75 51.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.47 152.63 50.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 90.3 mt -93.69 129.83 43.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.436 HG22 HD22 ' A' ' 37' ' ' LEU . 10.9 t -75.82 54.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -107.24 -49.11 3.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.3 t -127.76 53.18 1.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.822 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.8 p -120.13 -44.43 2.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.592 HG21 ' CD1' ' A' ' 76' ' ' TYR . 18.9 tt -145.97 154.01 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.099 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -108.32 41.44 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -126.43 -39.65 2.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.592 ' CD1' HG21 ' A' ' 73' ' ' ILE . 5.1 m-85 -57.08 109.84 0.72 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.445 ' CG ' ' N ' ' A' ' 78' ' ' ASP . 8.7 p80 -101.29 -55.44 2.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.445 ' N ' ' CG ' ' A' ' 77' ' ' HIS . 13.3 t70 -172.24 176.14 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.5 t30 46.23 47.6 13.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.4 p -126.79 -41.87 1.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 56.9 mt -85.26 155.36 60.25 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.566 0.698 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 54.0 Cg_endo -69.76 160.45 88.01 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.377 -0.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.703 ' HB ' HD12 ' A' ' 37' ' ' LEU . 87.6 m -138.37 124.04 19.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.4 mt -121.73 125.5 73.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.569 ' O ' HG22 ' A' ' 35' ' ' ILE . 38.9 m-85 -122.86 116.97 24.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.489 HG22 HG22 ' A' ' 34' ' ' VAL . 66.6 t -95.71 134.26 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.519 ' CG ' HG12 ' A' ' 24' ' ' VAL . 7.6 m-85 -122.52 133.77 54.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 32' ' ' TRP . 15.0 tptp -121.87 -58.39 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -121.46 46.22 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.34 19.44 78.27 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -134.93 176.43 8.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 77.6 mt -95.43 90.59 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 32' ' ' TRP . 13.3 mm-40 -63.91 -32.99 74.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.89 123.22 1.21 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.459 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -114.7 139.88 49.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 3.1 m-85 -129.46 101.68 6.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.479 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.7 mp -117.42 121.45 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.85 134.7 6.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.484 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.454 HG23 ' SD ' ' A' ' 44' ' ' MET . 47.4 mt -42.81 -56.6 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 111.158 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mp -58.49 -53.92 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 16.9 mt-10 -47.16 -35.81 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.6 t -90.23 31.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.456 ' N ' ' HE3' ' A' ' 115' ' ' LYS . . . 89.25 -47.05 3.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.455 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 118.95 166.86 13.62 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.577 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -57.06 -13.71 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 111.12 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.577 ' N ' HD12 ' A' ' 105' ' ' ILE . 76.7 m-20 -93.28 -16.37 24.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.669 HD21 ' HB2' ' A' ' 112' ' ' LEU . 3.5 tp -34.96 121.25 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.1 157.48 16.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.497 ' HB2' ' CE1' ' A' ' 51' ' ' HIS . 4.9 tp -46.69 -42.22 16.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -70.06 -41.47 74.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -53.46 -54.85 31.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.669 ' HB2' HD21 ' A' ' 107' ' ' LEU . 35.1 tp -57.83 -47.35 82.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.718 ' O ' HD11 ' A' ' 122' ' ' ILE . 20.7 tt0 -44.25 -43.45 7.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.481 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.9 t90 -65.29 -53.66 40.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.456 ' HE3' ' N ' ' A' ' 103' ' ' GLY . 19.8 mttm -38.75 -51.14 1.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.534 ' CD1' HD13 ' A' ' 55' ' ' LEU . 13.3 mt -66.72 -31.52 72.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 114' ' ' TRP . 12.3 t -71.76 -60.57 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -41.16 -34.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 73.5 t -73.58 -37.62 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 117' ' ' SER . . . 118.65 10.34 8.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.514 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . . . -78.67 -43.73 25.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.75 0.309 . . . . 0.0 111.09 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.718 HD11 ' O ' ' A' ' 113' ' ' GLU . 19.6 pt -132.13 -179.02 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -116.77 102.08 9.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.8 p -90.24 175.16 7.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.72 -29.9 5.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.3 mp -39.3 145.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -39.88 160.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 54.83 42.09 31.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -94.69 139.5 31.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.2 t -106.96 168.59 9.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 96.6 145.96 20.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 178.43 4.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 134' ' ' SER . 92.6 p -119.16 85.57 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 133' ' ' SER . 72.4 m 38.18 42.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.452 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.9 p -154.08 127.73 8.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -150.98 154.53 37.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.88 166.09 13.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.483 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -163.53 171.49 15.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.937 0.398 . . . . 0.0 110.803 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.3 p -129.11 -58.77 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.59 -142.63 6.78 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.572 ' HG3' ' CE1' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -114.22 -39.14 3.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.815 0.341 . . . . 0.0 110.922 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.572 ' CE1' ' HG3' ' A' ' 8' ' ' LYS . 6.2 m-85 -112.37 -176.99 3.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.26 37.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.539 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -174.99 166.76 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.93 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.478 HD21 ' HD3' ' A' ' 66' ' ' LYS . 22.9 tp -94.36 108.51 20.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.7 mtp85 -97.25 167.81 10.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -119.15 131.98 55.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 20' ' ' TYR . 42.7 pt -123.49 165.21 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.1 p -95.29 161.78 13.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 20' ' ' TYR . . . -48.25 -59.06 6.66 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -52.82 -30.85 35.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 20' ' ' TYR . 26.5 mm100 -76.87 -40.04 48.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.839 ' CE2' HD13 ' A' ' 35' ' ' ILE . 1.5 t80 -34.42 -45.85 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.917 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.4 t -69.41 -71.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -43.56 -23.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.625 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 45.4 mm-40 -96.87 -73.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 20' ' ' TYR . 39.3 t -59.15 -56.2 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 m -61.72 -70.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -81.94 39.13 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.715 ' HB1' HD23 ' A' ' 31' ' ' LEU . . . -63.58 153.81 34.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.448 ' HB3' HD22 ' A' ' 31' ' ' LEU . 4.7 tp10 -38.3 152.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 30' ' ' ASP . 2.3 tppp? -49.29 141.48 8.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' LYS . 3.1 m-20 33.84 50.46 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.715 HD23 ' HB1' ' A' ' 27' ' ' ALA . 11.5 tp -112.9 121.5 44.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.562 ' CE3' ' HA ' ' A' ' 121' ' ' ALA . 80.6 m95 -79.23 115.02 18.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.2 t -114.15 121.82 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.564 HG11 HD22 ' A' ' 116' ' ' LEU . 94.5 t -114.43 101.54 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.839 HD13 ' CE2' ' A' ' 20' ' ' TYR . 14.9 tt -95.12 152.44 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.535 ' CE1' ' HB3' ' A' ' 38' ' ' TYR . 9.7 t-80 -140.64 121.32 14.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.572 HD22 HG22 ' A' ' 69' ' ' VAL . 9.0 mt -85.5 111.83 20.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.535 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 4.1 p90 -121.71 158.83 27.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -144.37 179.17 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 t -102.2 34.26 2.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 m -132.36 -29.93 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.479 HG12 ' H ' ' A' ' 44' ' ' MET . 12.0 t -91.57 123.81 62.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.651 0.739 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -22.57 31.83 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.595 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -73.49 -65.05 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 44' ' ' MET . 8.8 p -36.01 -33.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' MET . 31.6 mt -53.47 -64.25 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 44' ' ' MET . 5.9 p -57.13 -36.63 52.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.572 HG23 ' SD ' ' A' ' 44' ' ' MET . 93.1 t -55.88 -45.85 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.165 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -59.67 -44.78 93.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -49.22 -50.86 36.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.446 ' NE2' ' O ' ' A' ' 107' ' ' LEU . 69.9 m-70 -65.95 -46.84 76.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.574 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.462 HD12 HG12 ' A' ' 48' ' ' VAL . 35.6 mt -57.47 -27.0 62.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -69.57 -51.38 35.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.2 p -74.98 -28.99 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.159 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.5 mt -70.45 -19.08 62.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.77 -49.64 57.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.429 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 2.2 ptm85 -70.71 -38.91 73.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -57.58 -49.32 76.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.433 ' CE2' ' HB ' ' A' ' 122' ' ' ILE . 46.4 m-85 -111.93 84.16 5.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.649 0.738 . . . . 0.0 110.925 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -18.19 37.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.309 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -71.19 -43.1 68.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.6 m -85.05 130.64 34.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.177 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.411 ' HD2' ' CZ ' ' A' ' 9' ' ' PHE . 10.9 tttt -76.48 141.23 41.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -132.79 116.72 16.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 32.7 m -134.41 142.26 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.478 ' HD3' HD21 ' A' ' 12' ' ' LEU . 16.5 pttt -119.25 130.82 55.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.61 139.54 45.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.527 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 36.9 mm -78.91 139.37 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.572 HG22 HD22 ' A' ' 37' ' ' LEU . 91.8 t -74.48 -43.54 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -32.97 -42.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 m -88.76 -54.38 4.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.423 ' C ' HG13 ' A' ' 73' ' ' ILE . 49.5 t -45.65 -57.67 4.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.436 ' O ' HG12 ' A' ' 69' ' ' VAL . 77.4 mt -147.97 132.78 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 75' ' ' HIS . 16.2 tt0 -89.45 -37.22 14.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 74' ' ' GLU . 23.9 m170 -33.92 -42.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.46 ' CD1' HG11 ' A' ' 69' ' ' VAL . 12.1 m-85 -39.55 156.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -123.45 -9.58 7.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 t70 75.03 54.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.586 ' HB3' ' CE1' ' A' ' 77' ' ' HIS . 4.8 p-10 -130.37 -42.2 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.504 ' HB3' HG23 ' A' ' 97' ' ' ILE . 1.8 m -72.77 -44.91 60.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.549 ' HA ' ' C ' ' A' ' 82' ' ' PRO . 31.1 mt -34.99 152.83 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.585 0.707 . . . . 0.0 110.916 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 81' ' ' LEU . 53.4 Cg_endo -69.76 164.3 79.57 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.323 -0.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.491 ' CG2' ' CE2' ' A' ' 85' ' ' PHE . 33.5 m -134.57 130.64 36.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.1 mt -130.66 135.98 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.491 ' CE2' ' CG2' ' A' ' 83' ' ' THR . 67.3 m-85 -134.84 121.89 21.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.523 HG22 HG22 ' A' ' 34' ' ' VAL . 97.6 t -100.74 134.98 38.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.484 ' CD2' ' O ' ' A' ' 91' ' ' GLN . 26.7 m-85 -127.3 136.65 52.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.512 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -122.41 -60.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -117.47 43.16 2.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.54 29.79 54.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.484 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 58.5 mt-30 -140.79 -176.97 4.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.756 0.312 . . . . 0.0 110.935 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 86.7 mt -102.31 89.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -60.58 -33.86 73.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -172.08 124.8 1.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -110.34 155.96 21.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -139.52 108.09 5.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.504 HG23 ' HB3' ' A' ' 80' ' ' CYS . 4.8 mp -121.73 126.18 74.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.41 130.06 6.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.661 HG22 ' HA2' ' A' ' 104' ' ' GLY . 84.6 mt -38.49 -59.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 111.108 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.0 mt -54.14 -55.41 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.443 ' CD ' ' O ' ' A' ' 97' ' ' ILE . 9.5 mt-10 -47.1 -37.54 9.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 28.0 m -88.93 28.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.505 ' HA3' HD13 ' A' ' 107' ' ' LEU . . . 90.69 -43.2 2.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.661 ' HA2' HG22 ' A' ' 99' ' ' ILE . . . 112.15 176.72 19.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.656 HD12 ' N ' ' A' ' 106' ' ' ASN . 2.8 pp -59.75 -19.4 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.825 0.345 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.656 ' N ' HD12 ' A' ' 105' ' ' ILE . 43.1 m-20 -98.77 25.19 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.684 HD11 ' HB2' ' A' ' 112' ' ' LEU . 54.2 tp -60.42 109.39 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -84.95 152.88 23.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 47.9 tp -49.93 -40.09 42.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -73.29 -49.4 27.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -48.8 -57.43 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.684 ' HB2' HD11 ' A' ' 107' ' ' LEU . 51.9 tp -58.81 -46.34 87.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.525 ' O ' HD11 ' A' ' 122' ' ' ILE . 28.5 tt0 -44.62 -43.57 8.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.496 ' O ' ' N ' ' A' ' 117' ' ' SER . 22.9 t90 -61.93 -56.27 20.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.443 ' HE3' ' N ' ' A' ' 103' ' ' GLY . 20.3 mttm -38.11 -52.17 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.564 HD22 HG11 ' A' ' 34' ' ' VAL . 13.5 mt -64.11 -32.59 74.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 114' ' ' TRP . 10.6 t -70.97 -60.14 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -42.64 -33.71 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 53.2 t -70.92 -38.06 70.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.532 ' O ' ' CZ2' ' A' ' 32' ' ' TRP . . . 121.46 8.86 7.44 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.562 ' HA ' ' CE3' ' A' ' 32' ' ' TRP . . . -77.51 -51.91 9.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.525 HD11 ' O ' ' A' ' 113' ' ' GLU . 35.3 pt -125.32 -179.16 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 123' ' ' GLN . 2.7 pp0? -123.91 94.52 4.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 125' ' ' ASP . 28.5 t -102.98 133.42 48.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 124' ' ' SER . 5.1 m-20 -36.81 -43.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.41 ' C ' ' HG2' ' A' ' 127' ' ' GLU . 16.0 mt -59.33 111.41 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.41 ' HG2' ' C ' ' A' ' 126' ' ' LEU . 10.6 mm-40 -147.52 169.32 19.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -124.72 153.49 42.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -71.13 -56.92 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 19.9 t -85.24 140.31 30.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -175.8 142.14 5.96 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 162.63 41.31 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.695 2.263 . . . . 0.0 112.36 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.5 m -148.41 162.28 39.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 32.4 t -119.26 103.6 9.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.833 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.512 179.992 . . . . . . . . 0 0 . 1 stop_ save_