data_1x65_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 1x65 _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' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.733 0.301 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -110.8 148.78 31.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.438 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -113.54 153.3 29.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.86 163.55 35.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.2 m -99.0 140.4 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.6 mm -69.39 123.83 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.69 -18.17 17.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.96 149.77 16.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' ARG . 37.0 mmm -136.09 41.05 2.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' MET . 4.7 mmp_? -37.53 150.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -61.23 90.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.3 -26.6 4.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -153.53 -166.15 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.924 0.393 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -173.81 -153.24 9.57 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -155.17 149.13 25.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.552 HD13 ' CD2' ' A' ' 34' ' ' PHE . 14.9 mt -129.91 99.26 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -71.08 111.44 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.88 155.36 36.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.5 m -79.69 -29.81 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -95.69 -41.12 9.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -92.32 149.4 21.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -101.18 39.86 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 m -141.4 146.61 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -77.61 162.61 26.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.9 tpp -121.44 86.78 2.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -41.25 122.66 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.552 ' CD2' HD13 ' A' ' 23' ' ' ILE . 28.0 p90 -129.36 161.17 30.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -110.53 155.15 22.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -80.77 42.71 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.3 -25.66 3.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.4 -14.84 42.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.427 ' O ' ' CG2' ' A' ' 39' ' ' ILE . 72.1 mt -72.03 0.41 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 pp -53.1 -17.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -44.14 -37.88 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.449 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . 113.63 82.95 1.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.448 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 11.0 m-20 172.29 118.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -77.27 84.51 3.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.444 HD22 ' CG1' ' A' ' 51' ' ' VAL . 82.9 mt -45.42 168.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.1 167.58 22.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.415 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 49.7 mm -51.36 113.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 47' ' ' ILE . . . 78.2 53.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.064 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -122.17 119.34 30.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.88 139.39 58.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.444 ' CG1' HD22 ' A' ' 45' ' ' LEU . 34.0 m -143.42 158.17 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -120.83 131.62 54.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.45 ' CB ' ' HB3' ' A' ' 67' ' ' ALA . 1.6 p90 -145.52 143.88 30.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 99.0 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 -179.891 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.852 0.358 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.442 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 0.4 OUTLIER -119.19 148.07 43.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.45 ' HB3' ' CB ' ' A' ' 53' ' ' PHE . . . -87.67 114.59 24.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -94.36 160.02 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' ILE . 10.1 mmt180 34.58 80.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 74.7 mt -81.39 117.67 27.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -120.42 116.82 26.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -65.86 123.83 20.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.438 ' CD1' ' HG2' ' A' ' 10' ' ' MET . 63.8 mt -86.41 144.06 37.42 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.62 0.724 . . . . 0.0 110.977 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 168.67 20.83 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -75.29 116.83 16.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.43 -44.91 1.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.4 m -59.84 -59.58 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 111.128 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.829 0.347 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -101.96 156.49 17.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.53 158.06 33.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.63 168.98 39.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.3 m -107.49 141.38 22.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.464 ' CD1' HG12 ' A' ' 23' ' ' ILE . 29.4 mm -76.17 89.71 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.81 -26.37 67.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.57 151.84 17.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -154.02 63.39 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 16.2 mmp_? -60.61 179.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.85 86.63 5.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.59 -31.27 2.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -155.5 -175.32 5.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.431 ' HA3' ' CZ ' ' A' ' 34' ' ' PHE . . . -163.05 -163.54 15.94 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.504 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -155.72 146.85 22.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.493 HD12 ' CD2' ' A' ' 34' ' ' PHE . 4.2 mt -132.2 104.56 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -58.99 111.58 1.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.0 m -77.98 122.21 25.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.2 t -63.4 -31.46 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.86 -43.62 44.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -97.68 179.75 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -101.72 -15.88 16.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 m -107.39 152.11 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 -68.36 -171.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 35.6 tpp -135.55 97.52 3.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -47.31 131.02 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.493 ' CD2' HD12 ' A' ' 23' ' ' ILE . 17.0 p90 -136.05 146.45 47.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -97.2 155.18 16.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -80.66 42.82 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.0 m -125.34 -25.74 3.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -82.73 -13.04 57.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.2 mt -70.74 0.32 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 pp -52.96 -23.22 6.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 3.3 t0 -43.15 -31.53 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' ND2' ' A' ' 43' ' ' ASN . . . 105.71 82.11 1.52 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 5.1 m-20 171.17 117.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.321 . . . . 0.0 110.912 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -76.38 101.65 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.9 mt -52.16 159.67 0.89 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.62 150.89 40.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.8 mm -48.23 107.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 76.66 63.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.11 135.74 47.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.462 ' HG2' ' CG1' ' A' ' 78' ' ' VAL . 2.0 mt-10 -62.7 138.13 58.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.9 m -138.37 156.7 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.162 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -118.37 128.78 54.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -147.87 156.36 42.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.8 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.176 -179.916 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.88 0.372 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.528 ' CE1' ' CG2' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -134.28 147.47 50.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.33 118.45 29.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.528 ' CG2' ' CE1' ' A' ' 66' ' ' HIS . 3.0 pt -109.64 160.01 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' ILE . 26.2 mmm-85 36.27 77.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.458 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 89.3 mt -75.45 125.24 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -126.83 113.81 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -63.52 125.05 22.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 mt -99.88 149.81 36.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 159.94 51.54 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.619 2.212 . . . . 0.0 112.375 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.07 118.85 14.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 135.3 -20.26 3.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 54.7 m -71.45 -77.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 111.171 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.462 ' CG1' ' HG2' ' A' ' 50' ' ' GLU . 14.6 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.774 0.321 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -124.11 150.69 44.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.428 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.88 156.9 24.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.919 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.38 -175.45 33.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 m -121.95 128.16 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.17 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.4 ' CD1' HG12 ' A' ' 23' ' ' ILE . 8.1 mm -61.25 85.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.22 -18.64 64.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.07 149.55 6.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.28 57.77 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 mmp_? -55.18 169.43 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.24 90.05 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.12 -36.63 2.07 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.442 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -153.18 -177.62 6.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.929 0.395 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.67 -170.34 33.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.519 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -139.78 159.0 43.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.5 HD13 ' CD1' ' A' ' 34' ' ' PHE . 7.7 mt -140.68 107.47 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -79.36 120.81 24.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.04 149.72 36.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 27' ' ' ASP . 25.0 m -71.4 -40.65 73.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.446 ' N ' HG22 ' A' ' 26' ' ' VAL . 5.2 t70 -85.42 -44.77 12.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.6 172.41 8.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.84 24.85 11.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.2 m -99.06 155.32 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.85 139.3 36.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.9 ttm -107.85 86.37 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -48.34 131.57 16.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.5 ' CD1' HD13 ' A' ' 23' ' ' ILE . 42.5 p90 -135.91 164.5 27.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -109.78 155.24 21.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -80.81 42.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.9 -24.41 4.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -85.3 -11.14 55.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.4 mt -71.61 0.43 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 pp -52.97 -23.68 7.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -44.39 -37.89 3.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.0 90.08 2.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 171.13 114.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -70.17 92.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.8 mt -55.07 160.65 1.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -155.83 167.18 31.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.484 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 46.1 mm -56.64 111.54 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 47' ' ' ILE . . . 83.34 49.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -111.15 134.24 52.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -85.78 117.85 24.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.4 m -127.69 165.1 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -122.09 131.99 54.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.403 ' CB ' ' HB2' ' A' ' 67' ' ' ALA . 3.5 p90 -145.62 158.92 43.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 95.4 m . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.117 -179.881 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.11 160.22 19.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.403 ' HB2' ' CB ' ' A' ' 53' ' ' PHE . . . -107.62 135.82 48.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 69' ' ' ARG . 8.0 pt -124.62 157.97 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 68' ' ' ILE . 7.5 mmt85 37.22 81.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.0 mt -78.87 114.44 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.6 125.54 45.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -65.68 148.43 51.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.428 ' CD1' ' HG2' ' A' ' 10' ' ' MET . 15.8 mt -107.39 146.86 34.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.552 0.691 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 149.57 67.08 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.234 . . . . 0.0 112.363 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 147.99 20.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.08 53.51 3.12 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 52.7 m -165.06 -65.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 111.153 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 179.88 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.755 0.312 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.453 ' O ' ' CE1' ' A' ' 53' ' ' PHE . 3.5 mm-40 -104.14 148.5 26.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.36 152.27 22.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.35 156.27 26.85 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.511 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 m -97.72 138.96 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.8 mm -66.79 133.02 31.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.26 -20.84 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.8 168.65 25.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.8 mtp -159.78 44.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.12 164.75 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.02 89.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.68 -37.89 1.68 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -157.65 -166.67 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.66 -162.77 21.45 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.441 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CE1' ' HD2' ' A' ' 31' ' ' ARG . 15.2 m-85 -139.94 155.44 47.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.4 mt -140.87 111.33 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -88.89 100.84 13.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.1 m -65.82 169.86 6.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.0 t -81.65 -53.02 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -34.4 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -101.02 130.27 47.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.02 34.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.6 163.51 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.446 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 14.2 ptt180 -90.1 141.57 28.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.0 tpp -105.77 93.27 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -51.25 113.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -119.97 157.65 28.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -105.78 155.01 19.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -81.72 41.16 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -122.89 -21.87 5.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' N ' ' OE1' ' A' ' 38' ' ' GLU . 0.4 OUTLIER -88.63 -10.9 47.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.4 mt -71.14 0.36 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 pp -52.89 -20.73 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.32 -38.49 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.59 82.36 1.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 173.12 149.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.764 0.316 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.96 106.32 17.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.33 170.29 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -170.01 146.45 3.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' HIS . 12.8 mm -34.12 116.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 70.21 62.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.434 ' OD2' ' CE ' ' A' ' 72' ' ' LYS . 2.4 m-20 -123.98 131.42 53.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -68.63 131.46 45.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.8 m -141.25 141.23 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -110.83 128.48 55.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.453 ' CE1' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -136.14 154.12 51.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 47.2 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 -179.936 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.876 0.369 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -143.88 174.9 10.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.81 135.63 53.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.2 pt -124.59 154.02 31.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 68' ' ' ILE . 1.9 mmm180 36.88 69.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 40.6 mt -68.42 110.06 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.24 108.71 20.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.434 ' CE ' ' OD2' ' A' ' 49' ' ' ASP . 11.7 tttm -66.65 108.9 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.9 mt -73.15 143.81 83.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.583 0.706 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 147.91 64.19 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.66 2.24 . . . . 0.0 112.391 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -48.25 138.93 9.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.89 61.24 1.61 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.412 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.4 m -148.4 -50.77 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.372 . . . . 0.0 111.119 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.7 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.904 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.801 0.334 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -118.82 149.53 41.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -113.4 151.39 31.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.38 170.84 38.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.4 m -105.07 143.79 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 111.161 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mm -72.02 114.84 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.65 -28.97 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.38 155.27 38.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.5 mmm -146.75 37.1 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' HE ' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -50.83 163.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.6 105.55 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.06 -27.69 6.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -175.01 171.56 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 0.0 110.848 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.96 -152.2 5.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.414 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 16.8 m-85 -148.28 148.7 30.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.564 HD13 ' CD1' ' A' ' 34' ' ' PHE . 6.8 mt -132.03 91.69 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.04 110.31 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -73.87 149.54 41.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.9 m -90.29 -12.74 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.82 -42.03 8.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -96.53 -177.55 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -105.0 -7.55 19.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.6 m -109.0 170.18 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.414 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -100.01 171.31 7.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 39.2 tpp -123.44 98.35 5.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -65.97 129.23 39.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.564 ' CD1' HD13 ' A' ' 23' ' ' ILE . 5.4 p90 -116.36 170.58 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -108.81 155.18 21.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -82.05 42.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.5 m -127.79 -30.33 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -81.57 -13.74 57.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 52.3 mt -71.41 0.42 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.41 ' C ' HD11 ' A' ' 40' ' ' LEU . 2.5 pp -52.97 -21.88 4.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -41.66 -39.91 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.794 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.49 83.06 1.31 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.529 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 176.34 115.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -67.7 92.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.4 mt -56.23 160.79 2.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -156.09 168.27 27.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.0 mm -55.09 141.32 11.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.51 48.8 19.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -112.35 140.61 46.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -86.3 135.38 33.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 28.9 m -149.42 152.45 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.117 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.419 ' HB2' ' CD2' ' A' ' 73' ' ' LEU . 4.2 tt0 -118.28 133.36 55.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.455 ' CB ' ' HB1' ' A' ' 67' ' ' ALA . 13.1 p90 -146.69 157.76 43.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.5 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 -179.924 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.03 157.07 29.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.455 ' HB1' ' CB ' ' A' ' 53' ' ' PHE . . . -98.28 116.44 30.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 69' ' ' ARG . 5.4 pt -96.9 155.62 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' ILE . 2.4 mmm180 34.81 83.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.431 ' O ' ' CG ' ' A' ' 41' ' ' ASP . 96.2 mt -81.01 117.49 27.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -119.55 146.01 45.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.71 123.43 29.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.419 ' CD2' ' HB2' ' A' ' 52' ' ' GLU . 10.8 mt -80.02 148.79 68.82 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 168.16 22.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 145.95 50.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.9 49.03 30.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 42.6 m -125.99 -48.12 1.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.6 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.874 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.803 0.335 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.1 153.9 19.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.0 mtm -151.23 137.07 18.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.8 -152.11 6.32 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.8 m -122.04 147.73 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.764 0.316 . . . . 0.0 111.122 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.464 ' CD1' HG12 ' A' ' 23' ' ' ILE . 29.5 mm -79.29 123.23 35.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.45 -43.11 12.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.97 163.26 35.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 mmm -139.47 39.05 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.447 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 6.8 mmp_? -39.87 148.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.07 90.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.02 -28.05 3.38 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 17' ' ' ARG . 2.7 p90 -159.02 170.46 22.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.383 . . . . 0.0 110.911 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.37 -157.99 7.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -153.32 148.32 26.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.518 HD11 ' CD1' ' A' ' 34' ' ' PHE . 9.4 mt -133.9 108.34 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -81.71 121.53 26.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.96 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.2 t -93.06 142.17 27.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.4 -42.66 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.05 -42.85 31.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -98.0 124.17 42.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -82.76 43.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.7 m -141.74 141.4 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -79.3 153.39 29.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.6 tpp -117.6 91.65 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.524 ' O ' ' CG ' ' A' ' 33' ' ' PHE . 1.9 p90 -58.42 120.14 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.518 ' CD1' HD11 ' A' ' 23' ' ' ILE . 47.4 p90 -115.27 170.06 8.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -113.26 154.06 27.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -81.79 41.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.2 -27.05 3.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -82.86 -9.84 59.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.2 mt -71.78 0.31 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.0 -25.75 13.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.92 -32.1 13.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.89 94.06 2.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 170.66 101.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -63.1 86.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.421 HD22 ' CG1' ' A' ' 51' ' ' VAL . 32.3 mt -49.67 161.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -165.6 154.02 11.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' HIS . 38.0 mm -35.92 107.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 61.31 84.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.98 2.68 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 61.97 116.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.421 ' CG1' HD22 ' A' ' 45' ' ' LEU . 34.3 m -135.97 153.24 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -122.69 126.36 47.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.517 ' CD1' ' HB2' ' A' ' 67' ' ' ALA . 7.7 p90 -142.98 160.6 40.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.9 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.169 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.467 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 0.5 OUTLIER -132.34 144.68 50.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.517 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . . . -86.24 114.18 22.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.1 pt -100.53 160.69 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 68' ' ' ILE . 2.0 mmt85 35.06 90.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.2 mt -87.32 114.85 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -126.62 106.99 9.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.56 144.16 6.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 mt -101.68 147.6 34.08 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.594 0.712 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 169.2 19.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.89 140.56 53.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.46 63.02 1.08 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 42.1 m -159.87 -60.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 111.132 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -115.55 154.18 29.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.3 mtm -131.0 137.27 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.76 -142.02 3.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.6 142.85 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 111.082 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.9 mm -68.08 140.93 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.151 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.16 -34.74 6.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.18 155.33 40.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 38.6 mmm -135.27 42.85 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -42.28 148.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.27 91.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.54 -27.54 4.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -158.39 176.86 11.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -152.95 -157.31 7.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -154.3 149.96 27.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.543 HD13 ' CD1' ' A' ' 34' ' ' PHE . 7.0 mt -131.11 112.31 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -81.6 120.47 25.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 m -78.49 151.0 32.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.8 m -72.25 -30.05 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -107.91 -43.85 4.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -79.03 128.16 32.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.87 33.67 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.3 m -135.23 139.41 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.09 156.73 24.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.4 tpp -114.8 90.56 3.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.545 ' CD2' ' O ' ' A' ' 33' ' ' PHE . 2.8 t80 -52.72 100.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.543 ' CD1' HD13 ' A' ' 23' ' ' ILE . 47.8 p90 -99.68 163.65 12.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.01 155.19 23.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.799 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -81.64 41.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.39 -25.66 3.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -86.17 -11.17 53.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.7 mt -72.51 0.41 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.3 pp -52.94 -23.84 8.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 7.5 t70 -41.02 -35.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' ' ND2' ' A' ' 43' ' ' ASN . . . 109.41 86.13 1.73 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.494 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 5.5 m-20 170.54 117.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.733 0.301 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -74.62 98.2 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.4 mt -56.31 163.41 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -159.84 155.91 26.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.7 mm -44.74 121.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 69.21 50.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -110.42 137.98 47.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -79.08 123.0 26.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.1 m -138.01 161.7 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -132.87 122.91 25.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -132.55 157.34 44.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.2 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 -179.912 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.853 0.358 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.432 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 0.3 OUTLIER -154.92 147.55 24.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.43 120.94 33.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.6 pt -112.02 156.97 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 38.49 78.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.414 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 93.9 mt -78.07 124.14 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -123.75 151.15 43.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.3 127.33 38.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.7 mt -84.67 144.05 41.91 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 156.77 62.32 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.687 2.258 . . . . 0.0 112.278 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -58.11 139.38 54.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.01 60.44 1.67 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 95.1 m -150.13 -57.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.347 . . . . 0.0 111.116 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.753 0.311 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -134.76 154.54 51.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.53 152.37 26.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.87 156.4 28.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.2 m -100.57 136.35 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 111.103 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.404 ' CD1' HG12 ' A' ' 23' ' ' ILE . 17.9 mm -65.62 120.88 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.22 -12.29 26.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.1 160.56 18.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 90.0 mtp -142.32 39.84 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 mmp_? -40.11 157.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -67.6 85.43 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.29 -38.59 1.78 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.664 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 15.3 p90 -153.67 171.2 19.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.903 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.58 -159.32 8.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -137.76 157.51 46.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.404 HG12 ' CD1' ' A' ' 13' ' ' ILE . 4.5 mt -140.77 112.82 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -79.21 84.77 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -53.54 146.03 13.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.5 t -74.45 -32.98 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -86.29 -40.5 15.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.2 mtt85 -105.91 141.19 37.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.65 28.59 2.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.0 m -122.88 136.38 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -59.62 139.38 57.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.02 85.91 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.664 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -45.58 113.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -129.03 155.13 45.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -107.84 155.16 20.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -80.95 42.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.02 -23.06 4.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.7 -14.32 40.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.3 mt -70.63 0.39 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 pp -52.92 -22.56 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.69 -26.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.26 91.64 2.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 170.25 139.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -95.12 92.62 6.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.447 HD13 ' CG ' ' A' ' 72' ' ' LYS . 0.9 OUTLIER -48.06 176.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.47 149.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -41.38 116.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 73.75 59.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -122.7 135.29 54.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -77.74 129.01 34.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.1 m -134.49 146.36 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -112.33 121.85 46.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.456 ' CB ' ' HB2' ' A' ' 67' ' ' ALA . 1.7 p90 -132.07 161.04 34.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.1 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 -179.895 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.857 0.36 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -143.61 153.93 43.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.456 ' HB2' ' CB ' ' A' ' 53' ' ' PHE . . . -86.27 126.82 34.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 69' ' ' ARG . 3.2 pt -107.04 155.98 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' ILE . 56.6 mtm-85 34.59 79.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.2 mt -79.02 119.0 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -115.74 101.15 8.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.447 ' CG ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -54.03 121.27 7.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.3 mt -79.37 147.33 68.23 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.63 0.729 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 162.45 42.01 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.71 2.274 . . . . 0.0 112.341 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.16 104.41 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.6 56.31 0.22 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.511 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.2 m -140.08 -64.35 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 0.0 111.138 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.876 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.729 0.3 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -133.93 151.19 51.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.2 157.19 19.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.61 168.8 41.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.7 m -102.58 148.27 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.077 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.452 ' CD1' HG12 ' A' ' 23' ' ' ILE . 18.7 mm -72.99 112.31 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.26 -10.91 58.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -179.22 146.78 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.05 63.42 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 mmp_? -57.2 -171.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -79.36 79.96 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.72 -58.13 0.62 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -125.53 -169.12 1.94 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.91 0.386 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.37 -145.55 5.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.53 ' CD1' ' HG3' ' A' ' 31' ' ' ARG . 25.7 m-85 -161.93 145.89 12.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 110.822 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.452 HG12 ' CD1' ' A' ' 13' ' ' ILE . 10.7 mt -126.19 113.28 33.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.66 113.55 20.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.53 144.47 41.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.3 t -70.77 -44.02 76.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.25 -40.62 51.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.41 ' CD ' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -94.25 136.33 34.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -88.38 39.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.41 HG21 ' CD ' ' A' ' 28' ' ' ARG . 22.5 m -137.94 167.21 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.53 ' HG3' ' CD1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -105.06 148.97 26.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.5 tpp -114.16 120.4 40.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.512 ' O ' ' CG ' ' A' ' 33' ' ' PHE . 1.5 p90 -78.06 121.11 23.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -120.4 162.2 19.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -104.51 155.23 19.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.64 38.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.0 m -122.6 -24.21 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -84.62 -10.5 57.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.442 ' O ' ' CG2' ' A' ' 39' ' ' ILE . 53.0 mt -70.87 0.43 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.9 pp -53.05 -19.53 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER -50.73 -17.72 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.18 87.55 1.33 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 173.32 113.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.771 0.319 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.93 86.55 1.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.8 mt -46.45 154.79 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -150.03 150.2 31.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.445 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 39.3 mm -41.46 113.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 47' ' ' ILE . . . 79.81 62.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.049 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -133.76 136.76 44.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.459 ' HG2' ' CG1' ' A' ' 78' ' ' VAL . 1.7 mt-10 -75.71 139.36 41.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.4 m -142.92 147.85 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -110.99 115.7 29.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.5 ' CG ' ' HB2' ' A' ' 67' ' ' ALA . 13.5 p90 -138.45 157.07 46.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 38.1 p30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.93 0.395 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.419 ' CE1' HG22 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -155.77 170.05 22.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.5 ' HB2' ' CG ' ' A' ' 53' ' ' PHE . . . -97.26 128.31 44.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.419 HG22 ' CE1' ' A' ' 66' ' ' HIS . 24.5 pt -116.86 152.06 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 40.19 72.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.459 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 49.6 mt -70.25 114.0 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -117.98 121.66 41.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.97 135.31 52.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.0 mt -105.39 144.09 28.11 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.613 0.721 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 154.97 66.93 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.334 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -60.21 131.84 52.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.7 -40.52 2.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.427 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 97.7 m -52.15 -69.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.127 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.459 ' CG1' ' HG2' ' A' ' 50' ' ' GLU . 5.2 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.72 0.295 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -126.92 169.88 12.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.418 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -118.95 156.28 29.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -161.58 165.64 35.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.2 m -103.41 139.6 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.459 ' CD1' HG12 ' A' ' 23' ' ' ILE . 7.9 mm -72.4 99.33 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.64 -26.74 68.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.05 157.41 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.064 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.3 ptm -156.67 81.55 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -94.73 154.13 17.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -43.14 105.39 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.47 -54.99 0.78 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -153.44 -172.34 4.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.854 0.359 . . . . 0.0 110.918 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.05 -158.48 8.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CZ ' ' CE2' ' A' ' 20' ' ' PHE . 24.3 m-85 -152.29 151.78 31.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.548 HD13 ' CD1' ' A' ' 34' ' ' PHE . 8.6 mt -137.74 111.93 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -86.26 139.5 30.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.67 158.44 27.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.3 t -64.86 -46.29 92.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -101.32 -41.85 6.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.41 158.35 36.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.73 42.89 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 m -122.84 146.78 27.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.92 127.96 44.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 32.5 tpp -97.0 86.12 3.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.505 ' O ' ' CG ' ' A' ' 33' ' ' PHE . 2.1 p90 -56.96 121.02 8.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.548 ' CD1' HD13 ' A' ' 23' ' ' ILE . 20.1 p90 -118.76 168.73 10.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -104.01 155.17 18.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -80.65 42.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 m -124.77 -24.17 4.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.831 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -83.84 -9.41 58.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.5 mt -73.43 0.4 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 pp -52.84 -20.46 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 3.3 t0 -50.54 -17.85 0.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . 85.16 90.83 0.83 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.461 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 7.3 m-20 171.28 116.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.767 0.318 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.64 109.91 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.461 ' CD2' ' O ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -72.02 164.21 26.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -168.26 154.54 7.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 46' ' ' HIS . 30.0 mm -35.12 120.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 44.91 82.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.74 2.92 10.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.47 ' HG2' ' CG1' ' A' ' 78' ' ' VAL . 4.9 mt-10 54.15 106.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.4 m -125.99 160.15 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 73' ' ' LEU . 3.0 tt0 -117.86 127.34 53.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -136.36 161.28 36.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.8 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -179.893 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.857 0.361 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -139.36 150.57 45.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.94 129.47 34.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.2 pt -112.82 163.43 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 40.88 64.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.436 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 75.2 mt -69.0 121.21 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.34 129.61 43.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 140.08 46.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 52' ' ' GLU . 88.6 mt -105.9 144.29 28.6 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.61 0.719 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 168.83 20.37 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.382 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 155.41 39.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.6 55.73 6.5 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 50.5 m -162.77 -52.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.107 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 50' ' ' GLU . 20.6 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.757 0.313 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -100.34 160.78 14.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.0 mtm -140.49 137.53 33.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.57 -157.16 8.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.47 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.4 m -125.51 148.27 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.345 . . . . 0.0 111.146 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.7 mm -85.25 98.09 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.11 -26.0 61.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -154.45 146.77 23.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.067 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.416 ' HA ' ' CA ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -156.81 79.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.444 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 12.7 mmp_? -69.54 -172.25 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -78.68 89.07 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.87 -45.99 1.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -137.44 -176.14 4.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.416 ' CA ' ' HA ' ' A' ' 16' ' ' MET . . . -163.63 -147.16 4.97 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.464 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -159.75 152.17 21.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.3 mt -134.12 112.78 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -74.12 115.22 13.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.67 126.72 31.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.4 m -62.58 -32.57 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.162 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -96.26 -44.05 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.3 mtt85 -85.74 151.9 23.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.0 31.72 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.8 123.55 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -62.61 159.77 15.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.3 tpp -111.26 133.59 53.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -87.65 105.68 17.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -106.59 159.75 15.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -109.34 154.53 22.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -82.88 39.61 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.3 t -122.83 -31.87 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -80.78 -11.14 59.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.7 mt -70.62 0.33 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 pp -52.89 -24.77 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.972 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.46 -25.14 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . 100.97 91.84 2.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.418 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 7.2 m-20 170.49 113.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.342 . . . . 0.0 110.881 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.12 89.44 3.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 71.7 mt -54.74 167.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -167.33 -172.62 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.1 mm -64.81 115.17 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 70.39 58.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.06 119.63 30.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -56.53 145.8 26.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.4 m -152.8 154.37 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -129.58 119.97 24.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.49 ' CG ' ' HB3' ' A' ' 67' ' ' ALA . 4.7 p90 -138.19 161.64 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 -179.881 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.887 0.375 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.498 ' CE1' ' CG2' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -134.52 170.57 15.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.49 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . . . -117.72 120.81 39.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.498 ' CG2' ' CE1' ' A' ' 66' ' ' HIS . 6.3 pt -101.26 158.05 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' ILE . 1.0 OUTLIER 34.67 86.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 53.5 mt -90.95 112.93 25.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -124.24 106.27 10.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' HB3' ' CG ' ' A' ' 43' ' ' ASN . 14.3 tttt -44.34 148.96 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.1 mt -100.81 146.09 31.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 150.88 68.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.362 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.92 137.86 31.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.72 59.22 2.25 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.508 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 93.7 m -143.52 -47.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.855 0.36 . . . . 0.0 111.14 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.897 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.789 0.328 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -112.68 161.97 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.458 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -110.68 154.63 23.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.19 160.3 33.92 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.8 m -98.06 144.9 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.407 ' CD1' HG12 ' A' ' 23' ' ' ILE . 6.4 mm -76.59 122.96 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.27 -34.74 12.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.95 160.05 33.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.2 mtp -155.37 41.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.09 159.38 7.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.32 96.26 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.02 -50.01 0.9 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -147.86 -179.86 7.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.85 -149.89 5.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.421 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 49.7 m-85 -155.85 139.64 16.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 110.922 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.449 HD13 ' CD1' ' A' ' 34' ' ' PHE . 2.9 mt -120.44 113.93 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -81.17 136.27 35.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.6 m -92.45 139.57 30.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.5 m -65.0 -34.48 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -92.35 -46.18 7.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.82 149.97 26.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -100.42 37.4 1.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.2 m -137.95 174.3 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.421 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 18.0 ptt180 -108.41 166.54 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.83 85.65 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' ' 33' ' ' PHE . 2.8 t80 -47.04 100.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.449 ' CD1' HD13 ' A' ' 23' ' ' ILE . 42.4 p90 -101.25 164.31 11.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -111.46 155.22 23.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -82.4 39.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.26 -30.22 2.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -79.89 -12.12 59.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.46 ' CD1' HD12 ' A' ' 45' ' ' LEU . 67.9 mt -70.71 0.4 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 pp -52.89 -21.82 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.5 t0 -50.51 -28.13 7.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.68 93.38 2.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.413 ' CG ' ' HB2' ' A' ' 72' ' ' LYS . 3.2 m-80 170.76 112.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -76.44 85.38 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' A' ' 39' ' ' ILE . 63.3 mt -38.66 154.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 47' ' ' ILE . 1.5 m-70 -148.15 138.84 23.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 46' ' ' HIS . 46.3 mm -35.92 110.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 75.86 71.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.078 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.34 133.35 29.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.08 132.74 48.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.455 HG13 ' CD2' ' A' ' 45' ' ' LEU . 31.2 m -141.36 154.93 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -117.46 128.31 54.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 67' ' ' ALA . 3.0 p90 -144.6 156.33 44.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.46 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 51.0 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.832 0.349 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.406 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 0.3 OUTLIER -149.17 146.31 27.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.567 ' HB2' ' CD2' ' A' ' 53' ' ' PHE . . . -90.65 124.89 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.46 ' CG1' ' HB ' ' A' ' 54' ' ' THR . 1.6 pt -106.22 159.01 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' ILE . 4.7 mmt85 36.0 79.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 79.3 mt -82.84 123.02 38.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.401 ' HB2' ' CG ' ' A' ' 41' ' ' ASP . 12.9 ttpt -136.76 115.24 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.413 ' HB2' ' CG ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -56.61 137.22 54.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.458 ' CD1' ' HG2' ' A' ' 10' ' ' MET . 37.4 mt -90.94 151.03 42.95 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.64 0.733 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 150.63 68.7 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.399 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 139.52 55.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.27 64.16 1.67 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.6 m -156.21 -38.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 111.132 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 179.856 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.757 0.313 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -100.45 149.24 23.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.86 138.17 54.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.83 178.21 36.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 m -98.09 152.58 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.125 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.5 mm -80.72 121.31 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.11 -20.51 28.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.05 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.7 151.94 7.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.109 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.3 mmm -135.13 41.06 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 mmp_? -45.59 148.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.88 97.75 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.23 -33.16 4.45 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -154.39 168.31 27.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.898 0.38 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.58 -147.92 4.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 31' ' ' ARG . 15.0 m-85 -156.61 167.38 30.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.45 HD13 ' CD2' ' A' ' 34' ' ' PHE . 3.6 mt -147.27 105.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -88.22 109.46 19.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.0 172.64 5.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 27' ' ' ASP . 29.2 m -92.54 -38.75 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.403 ' N ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -95.04 -35.3 11.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -42.02 30.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 62.46 42.6 8.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 m -139.15 148.84 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.485 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.0 ptt180 -82.49 125.18 30.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.84 94.76 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -49.62 135.04 19.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.45 ' CD2' HD13 ' A' ' 23' ' ' ILE . 30.1 p90 -153.86 155.19 35.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -95.38 155.19 16.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -81.3 41.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.82 -17.71 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.493 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 0.5 OUTLIER -86.14 -9.46 56.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.7 mt -74.31 0.4 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.167 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 pp -52.92 -15.91 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -14.72 3.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.5 77.05 0.45 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -144.71 9.76 1.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' ASN . 3.0 mt-30 34.38 82.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mp -61.64 173.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.479 ' CB ' ' OD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -171.95 157.18 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -43.65 135.73 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 52.23 59.49 4.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.479 ' OD2' ' CB ' ' A' ' 46' ' ' HIS . 50.7 m-20 -125.15 120.44 31.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.6 124.88 23.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.1 m -131.51 144.87 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -104.49 127.54 52.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.436 ' CB ' ' HB1' ' A' ' 67' ' ' ALA . 12.5 p90 -140.27 157.47 45.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 91.6 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.108 -179.908 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.859 0.362 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.489 ' CE1' ' CG2' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -156.66 164.82 37.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.436 ' HB1' ' CB ' ' A' ' 53' ' ' PHE . . . -96.43 116.6 29.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.489 ' CG2' ' CE1' ' A' ' 66' ' ' HIS . 9.5 pt -103.99 161.67 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' ILE . 3.3 mmt180 34.6 71.58 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.8 mt -71.37 119.46 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -127.01 111.05 13.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.5 156.39 3.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.2 mt -119.71 147.54 44.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.948 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 156.1 64.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 0.0 112.349 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -62.06 122.48 15.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 129.7 -55.07 0.77 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.1 m -46.2 -62.38 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.33 . . . . 0.0 111.12 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.5 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.803 0.335 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -109.77 152.46 25.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.68 158.54 31.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.96 161.21 35.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.7 m -96.38 134.64 33.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.784 0.325 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.421 ' CD1' HG12 ' A' ' 23' ' ' ILE . 27.5 mm -66.76 121.14 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.37 -39.31 14.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.54 164.5 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.414 ' CE ' ' HB2' ' A' ' 45' ' ' LEU . 85.9 mtp -141.47 45.38 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' MET . 4.8 mmp_? -37.47 148.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -60.96 85.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.49 -28.8 3.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.488 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -157.48 162.84 38.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.953 0.406 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.455 ' C ' ' CE1' ' A' ' 34' ' ' PHE . . . -137.38 179.38 18.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -119.06 161.58 20.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.421 HG12 ' CD1' ' A' ' 13' ' ' ILE . 21.7 mt -140.14 120.51 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.91 123.99 35.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 90.3 m -81.39 145.57 30.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.1 t -82.52 -23.52 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 27' ' ' ASP . 0.8 OUTLIER -105.76 -32.07 8.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -104.56 148.49 26.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.19 41.13 1.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.4 m -137.62 125.11 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -61.01 161.57 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.9 ttm -134.23 73.61 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -44.16 142.34 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.455 ' CE1' ' C ' ' A' ' 21' ' ' GLY . 26.3 p90 -133.99 170.18 16.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -113.99 154.38 27.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -81.6 41.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.4 -29.48 3.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.63 -11.08 57.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.469 HG21 ' CD2' ' A' ' 45' ' ' LEU . 35.4 mt -70.79 0.56 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.3 pp -52.73 -23.9 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -43.01 -40.45 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.07 86.8 1.39 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 171.68 134.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.748 0.309 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.07 111.84 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.469 ' CD2' HG21 ' A' ' 39' ' ' ILE . 3.3 mm? -56.48 -177.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.49 149.68 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.4 mm -47.16 115.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 74.51 53.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -119.1 135.94 54.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.6 143.26 33.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.5 m -148.81 142.21 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -104.6 132.95 50.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.468 ' CB ' ' HB3' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -139.52 150.7 45.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.3 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 -179.88 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -101.38 177.45 4.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.468 ' HB3' ' CB ' ' A' ' 53' ' ' PHE . . . -109.65 120.12 41.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' ARG . 7.3 pt -101.11 161.8 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.16 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER 35.12 70.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 42.7 mt -71.22 109.79 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -117.16 119.35 34.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.43 124.93 25.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 mt -85.99 152.63 56.47 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 147.67 63.06 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.655 2.237 . . . . 0.0 112.366 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -55.13 124.69 17.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.58 -52.43 0.73 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.4 m -41.15 -48.34 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 111.183 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.865 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.422 ' CZ ' ' OG1' ' A' ' 54' ' ' THR . 14.0 mmt180 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.78 0.324 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -111.2 147.32 35.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.6 156.29 19.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.41 162.23 31.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -98.05 142.64 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.803 0.335 . . . . 0.0 111.134 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.465 ' CD1' HG12 ' A' ' 23' ' ' ILE . 45.8 mm -74.53 106.25 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.13 -44.9 17.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.66 155.38 33.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 42.2 mtp -148.03 47.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -53.61 176.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -81.96 43.66 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.28 -48.79 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.507 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 22.0 p90 -136.46 -178.79 5.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.918 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.5 -161.89 15.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -138.08 143.42 40.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.465 HG12 ' CD1' ' A' ' 13' ' ' ILE . 18.4 mt -128.08 88.65 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -56.06 119.77 6.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.72 144.45 37.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.4 m -83.28 -10.69 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -101.29 -46.89 4.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -100.87 163.0 12.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.72 40.93 1.16 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.0 m -143.11 146.62 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -84.35 154.11 23.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.7 tpp -107.07 115.45 30.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.507 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -66.5 112.26 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -118.69 152.01 36.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -106.92 155.2 20.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -80.61 42.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.3 -27.51 3.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -80.3 -12.8 59.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.432 ' CD1' HD12 ' A' ' 45' ' ' LEU . 40.7 mt -70.7 0.49 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -52.92 -24.71 9.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -45.84 -37.57 6.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.88 93.92 2.22 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.504 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 170.2 98.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.48 90.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.432 HD12 ' CD1' ' A' ' 39' ' ' ILE . 29.9 mt -57.8 155.37 10.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -144.84 156.02 43.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.9 mm -43.73 127.05 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 61.99 59.19 1.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -127.71 137.42 52.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -67.3 139.51 57.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.6 m -143.43 144.41 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -109.05 129.91 55.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 53' ' ' PHE . 2.5 p90 -148.18 150.8 34.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.422 ' OG1' ' CZ ' ' A' ' 8' ' ' ARG . 23.9 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.887 0.375 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -139.08 177.56 7.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.419 ' HB2' ' CB ' ' A' ' 53' ' ' PHE . . . -125.79 122.02 34.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.076 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.6 pt -109.21 160.22 8.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' ILE . 2.1 mmt-85 34.66 81.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.3 mt -76.95 115.09 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.06 114.64 19.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.415 ' NZ ' ' HA ' ' A' ' 45' ' ' LEU . 13.8 tttp -53.87 152.43 5.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.963 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 mt -111.18 147.48 36.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.624 0.726 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 160.42 49.78 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.266 . . . . 0.0 112.329 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.55 125.97 27.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.13 -45.99 1.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 73.8 m -51.07 -75.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.924 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.5 mtt85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.737 0.304 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -116.39 165.34 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.422 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -128.24 153.24 47.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.02 172.81 38.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.3 m -111.45 138.29 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 111.158 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.7 mm -67.98 142.33 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.11 -25.6 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.98 135.16 47.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.9 mmm -142.91 51.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 13.6 mmp_? -46.39 -85.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -160.04 51.76 0.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.504 ' HA2' ' CG ' ' A' ' 36' ' ' PHE . . . 139.28 -41.93 1.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.494 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -123.2 163.84 19.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -175.5 -125.68 0.89 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.507 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -157.74 169.22 25.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.3 mt -147.83 96.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.71 109.33 2.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 t -70.31 153.23 43.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 27' ' ' ASP . 6.6 m -85.67 -30.08 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.453 ' N ' HG23 ' A' ' 26' ' ' VAL . 7.4 t0 -83.69 -43.0 15.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.7 164.52 12.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.93 38.34 2.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.6 m -138.43 176.74 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.2 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -101.56 149.56 23.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -115.66 73.82 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 32' ' ' MET . 1.5 t80 -37.07 149.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -153.36 159.68 42.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -106.66 155.39 19.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CG ' ' HA2' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -82.81 37.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.35 -17.87 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -92.8 -12.67 30.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.478 HD11 ' CD1' ' A' ' 36' ' ' PHE . 55.5 mt -70.71 0.49 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 40' ' ' LEU . 2.0 pp -52.85 -20.76 3.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 8.4 t70 -44.96 -27.66 0.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.58 82.92 1.66 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 171.58 122.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -76.1 127.9 33.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 1.6 mm? -81.8 165.39 20.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.474 ' N ' ' OD2' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -167.44 147.37 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.876 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.43 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 44.3 mm -41.28 116.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 47' ' ' ILE . . . 79.43 51.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.474 ' OD2' ' N ' ' A' ' 46' ' ' HIS . 1.8 m-20 -117.07 130.43 56.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.19 135.32 36.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.6 m -139.85 169.39 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -132.64 127.11 34.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -138.51 150.24 46.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.7 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 -179.883 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.855 0.36 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.517 ' CE1' ' CG2' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -112.93 147.4 37.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.95 124.57 33.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.517 ' CG2' ' CE1' ' A' ' 66' ' ' HIS . 1.6 pt -110.27 161.56 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' ILE . 28.4 mmt85 34.43 77.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 69.2 mt -77.69 126.25 37.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -131.12 122.91 27.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.23 133.33 46.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.422 ' CD1' ' HG2' ' A' ' 10' ' ' MET . 11.9 mt -94.47 149.22 36.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.742 . . . . 0.0 110.931 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 154.03 68.27 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.752 2.301 . . . . 0.0 112.32 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 111.82 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.89 -44.1 1.03 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.444 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.8 m -58.9 -52.15 66.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 111.15 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.898 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.845 0.355 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -108.54 157.81 18.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.484 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 1.7 ptt? -149.15 150.14 32.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -148.72 -144.2 3.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -131.22 136.06 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 111.135 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.7 mm -66.22 114.56 3.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.56 -27.51 17.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.43 165.12 27.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.067 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.1 mtp -153.57 34.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.6 156.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.85 94.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.73 -47.4 1.02 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -155.03 -175.67 5.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.31 -132.68 1.36 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.462 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.592 ' CZ ' ' CZ ' ' A' ' 33' ' ' PHE . 8.9 m-85 -154.06 157.07 38.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 mt -136.0 106.7 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.5 112.27 17.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.53 156.12 31.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.81 -50.52 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -39.02 61.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -97.28 146.3 25.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -106.36 40.83 1.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.95 132.33 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.479 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 23.2 mtt180 -67.65 135.4 52.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.09 111.07 23.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.592 ' CZ ' ' CZ ' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -69.83 123.38 21.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.853 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -128.69 160.61 31.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -108.01 155.2 20.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.33 36.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.1 m -120.42 -28.14 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -80.28 -14.07 58.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 34.8 mt -70.79 0.47 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 pp -52.8 -26.07 13.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -40.86 -29.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.15 90.43 2.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 170.03 105.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.727 0.298 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -64.79 95.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 mt -59.54 156.88 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -141.47 170.44 15.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.1 116.21 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 76.73 58.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.36 150.42 45.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -81.14 131.96 35.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.484 ' O ' ' CB ' ' A' ' 10' ' ' MET . 0.8 OUTLIER -138.78 142.32 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.153 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -118.03 128.53 54.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.508 ' CG ' ' HB2' ' A' ' 67' ' ' ALA . 5.5 p90 -148.23 155.22 41.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 -179.914 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.447 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 0.3 OUTLIER -140.97 145.42 35.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.508 ' HB2' ' CG ' ' A' ' 53' ' ' PHE . . . -89.61 119.27 29.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.8 pt -99.46 155.68 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER 34.77 84.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.2 mt -84.17 113.67 23.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.68 115.35 23.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.92 139.63 33.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.403 HD11 ' C ' ' A' ' 51' ' ' VAL . 10.5 mt -97.39 148.87 35.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.613 0.72 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.38 65.11 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -48.25 149.52 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.72 65.82 2.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.5 m -150.47 -48.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.841 0.353 . . . . 0.0 111.099 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.131 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.788 0.328 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -112.41 152.04 29.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -112.29 156.47 22.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.92 160.95 34.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.495 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.0 m -96.64 145.48 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 111.177 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.421 ' CD1' HG12 ' A' ' 23' ' ' ILE . 19.6 mm -69.94 122.88 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.16 -28.68 14.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.56 158.53 41.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 56.5 mmm -144.67 83.83 1.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.463 ' N ' ' HD3' ' A' ' 17' ' ' ARG . 0.7 OUTLIER -97.75 150.21 21.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -61.22 94.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.14 -34.8 2.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -159.99 177.98 10.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.849 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.21 -163.34 12.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.498 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 6.4 m-85 -145.68 145.64 30.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.421 HG12 ' CD1' ' A' ' 13' ' ' ILE . 6.3 mt -135.64 96.89 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -63.39 122.53 16.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.17 129.32 39.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 p -58.94 -37.8 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -94.3 -42.14 9.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -86.6 178.63 7.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -122.6 47.7 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.9 m -140.02 146.5 24.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.498 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 4.0 mtt-85 -81.85 150.29 27.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.491 ' CE ' ' O ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -112.35 81.12 1.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -41.79 116.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -124.86 161.84 25.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -113.12 155.24 25.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -80.54 43.04 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.4 m -128.44 -29.94 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -81.39 -16.52 51.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.6 mt -70.24 0.42 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 pp -52.63 -25.24 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.91 -29.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.453 ' O ' ' ND2' ' A' ' 43' ' ' ASN . . . 107.76 89.56 2.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 5.6 m-20 169.51 121.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -82.3 118.08 22.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.4 mp -76.06 172.04 13.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -175.16 156.36 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' HIS . 33.2 mm -37.31 118.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 62.71 70.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.416 ' CG ' ' HE3' ' A' ' 72' ' ' LYS . 19.7 m-20 -132.13 128.07 37.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -69.06 131.46 45.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.8 m -140.66 135.87 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -104.55 129.35 52.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.458 ' CB ' ' HB3' ' A' ' 67' ' ' ALA . 1.5 p90 -136.41 154.32 50.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.5 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.119 -179.896 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.491 ' O ' ' CE ' ' A' ' 32' ' ' MET . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.798 0.332 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.46 159.7 15.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.458 ' HB3' ' CB ' ' A' ' 53' ' ' PHE . . . -97.69 113.13 24.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 69' ' ' ARG . 6.2 pt -91.8 160.31 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' ILE . 50.3 mtm-85 34.34 77.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.9 mt -84.85 118.93 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -133.18 122.91 24.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.416 ' HE3' ' CG ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -56.62 150.77 14.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 52' ' ' GLU . 3.5 mt -103.0 148.16 35.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.954 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 150.34 68.52 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.369 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.09 141.03 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.65 60.53 1.97 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.4 m -152.58 -46.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 0.0 111.149 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.5 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 179.905 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.724 0.297 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -98.77 154.97 17.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -125.27 158.37 34.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.65 -168.93 29.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.451 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 m -126.59 126.89 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.0 mm -59.28 136.85 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -112.75 -27.12 8.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.89 154.72 42.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.0 mmm -147.05 37.69 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.44 161.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -64.21 96.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.91 -46.26 1.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -147.32 -177.89 5.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.376 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.83 -137.15 2.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.552 ' CD1' ' HG3' ' A' ' 31' ' ' ARG . 29.0 m-85 -160.51 152.62 20.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.9 mt -135.09 100.33 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.171 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -78.51 119.83 22.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -72.34 168.57 18.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.0 t -85.45 -40.32 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.42 -34.44 14.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -94.73 130.26 41.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -89.36 40.36 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.2 m -141.59 125.05 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.552 ' HG3' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -64.49 157.96 25.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 47.8 tpp -112.82 110.48 20.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.35 109.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -118.64 166.09 13.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -111.58 154.95 24.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -80.91 42.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.5 -14.87 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.448 ' HB3' ' N ' ' A' ' 69' ' ' ARG . 2.2 mm-40 -90.54 -13.79 33.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.5 mt -72.6 0.46 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 40' ' ' LEU . 1.5 pp -52.85 -15.94 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 0.9 OUTLIER -50.9 -30.07 13.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.02 89.65 2.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 171.72 130.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -79.09 73.3 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.404 HD12 ' CG2' ' A' ' 70' ' ' ILE . 6.1 mt -53.06 175.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.55 -175.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' ALA . 35.7 mm -44.4 127.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ILE . . . 35.44 88.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -133.21 13.73 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 54.68 107.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 m -128.44 152.34 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -119.5 116.69 26.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.474 ' CD2' ' HB2' ' A' ' 67' ' ' ALA . 2.4 p90 -127.43 161.15 29.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.889 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.505 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 0.5 OUTLIER -149.41 138.6 21.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.474 ' HB2' ' CD2' ' A' ' 53' ' ' PHE . . . -86.42 124.34 32.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.4 pp -119.83 165.53 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.448 ' N ' ' HB3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER 34.93 73.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.43 ' O ' ' CG ' ' A' ' 41' ' ' ASP . 48.1 mt -69.14 126.7 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -127.34 119.07 25.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.28 145.42 55.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.1 mt -114.56 148.06 39.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.588 0.708 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.16 64.66 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.91 142.29 46.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.68 -36.78 4.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.8 m -55.91 -66.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.859 0.362 . . . . 0.0 111.151 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.912 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -110.96 157.75 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -120.02 158.51 26.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.33 175.35 40.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 m -118.16 121.31 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 111.154 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.455 ' CD1' HG12 ' A' ' 23' ' ' ILE . 16.4 mm -48.51 119.4 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.52 -27.03 21.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.428 ' O ' ' CG2' ' A' ' 13' ' ' ILE . . . -146.63 166.77 25.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 29.3 mtp -154.33 53.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.42 157.8 36.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.34 106.61 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.65 -43.34 1.36 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.54 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -152.52 -174.65 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.932 0.396 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.549 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -157.42 -161.43 10.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.478 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 21' ' ' GLY . 19.9 m-85 -151.67 153.93 35.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.455 HG12 ' CD1' ' A' ' 13' ' ' ILE . 14.9 mt -134.31 120.14 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.92 108.12 19.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.08 149.85 8.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.79 -18.19 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.94 -42.29 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -79.04 -179.49 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -124.3 5.68 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.55 147.69 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 -76.74 162.42 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.8 ttm -122.49 101.49 7.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -54.17 136.57 42.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -145.79 149.31 34.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -91.12 155.19 18.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.469 ' CD1' HD12 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -83.83 35.61 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.47 -21.35 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -80.38 -3.54 50.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.469 HD12 ' CD1' ' A' ' 36' ' ' PHE . 46.2 mt -77.05 0.33 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 pp -52.86 -19.26 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -51.38 -19.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.87 80.98 1.5 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 172.68 107.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.774 0.321 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -69.52 95.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.2 mt -45.07 158.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -150.69 157.13 42.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.8 mm -50.16 123.76 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.162 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 59.88 63.59 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.069 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.442 ' OD2' ' NZ ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -130.94 125.38 33.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -55.99 142.81 34.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -147.63 144.42 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -115.62 128.98 56.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -140.81 149.43 42.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.4 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 -179.927 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.836 0.35 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -141.04 173.36 11.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.72 113.45 26.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' ARG . 4.8 pt -105.46 169.16 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' ILE . 23.0 mmt180 36.28 60.42 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.7 mt -67.02 117.58 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -126.57 129.61 48.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.442 ' NZ ' ' OD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -66.71 146.38 54.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.0 mt -106.45 147.12 34.36 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 159.83 52.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.24 132.45 46.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.74 -49.59 0.84 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.9 m -47.21 -67.97 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.846 0.355 . . . . 0.0 111.144 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.885 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.97 -55.7 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.373 . . . . 0.0 110.888 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -112.97 153.04 28.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.34 121.5 6.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -116.56 114.45 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 p -125.69 155.94 40.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.47 75.49 1.3 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 -114.74 138.96 50.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.733 0.301 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -110.8 148.78 31.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.438 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -113.54 153.3 29.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.86 163.55 35.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.2 m -99.0 140.4 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.6 mm -69.39 123.83 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.69 -18.17 17.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.96 149.77 16.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' ARG . 37.0 mmm -136.09 41.05 2.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' MET . 4.7 mmp_? -37.53 150.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -61.23 90.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.3 -26.6 4.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -153.53 -166.15 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.924 0.393 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -173.81 -153.24 9.57 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -155.17 149.13 25.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.552 HD13 ' CD2' ' A' ' 34' ' ' PHE . 14.9 mt -129.91 99.26 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -71.08 111.44 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.88 155.36 36.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.476 HG13 ' CG ' ' A' ' 80' ' ' PHE . 10.5 m -79.69 -29.81 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -95.69 -41.12 9.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -92.32 149.4 21.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -101.18 39.86 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 m -141.4 146.61 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -77.61 162.61 26.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.441 ' HE3' ' CG1' ' A' ' 55' ' ' VAL . 30.9 tpp -121.44 86.78 2.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -41.25 122.66 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.552 ' CD2' HD13 ' A' ' 23' ' ' ILE . 28.0 p90 -129.36 161.17 30.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -110.53 155.15 22.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -80.77 42.71 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.3 -25.66 3.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.4 -14.84 42.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.427 ' O ' ' CG2' ' A' ' 39' ' ' ILE . 72.1 mt -72.03 0.41 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 pp -53.1 -17.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -44.14 -37.88 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.449 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . 113.63 82.95 1.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.448 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 11.0 m-20 172.29 118.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -77.27 84.51 3.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.444 HD22 ' CG1' ' A' ' 51' ' ' VAL . 82.9 mt -45.42 168.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.1 167.58 22.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.415 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 49.7 mm -51.36 113.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 47' ' ' ILE . . . 78.2 53.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.064 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -122.17 119.34 30.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.88 139.39 58.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.444 ' CG1' HD22 ' A' ' 45' ' ' LEU . 34.0 m -143.42 158.17 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -120.83 131.62 54.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.45 ' CB ' ' HB3' ' A' ' 67' ' ' ALA . 1.6 p90 -145.52 143.88 30.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 99.0 m -72.97 -44.8 60.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.458 ' O ' ' CG1' ' A' ' 56' ' ' VAL . 73.1 t 60.07 144.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.458 ' CG1' ' O ' ' A' ' 55' ' ' VAL . 15.8 m -161.88 144.46 8.89 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.64 0.733 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.402 ' C ' ' OD1' ' A' ' 58' ' ' ASP . 53.6 Cg_endo -69.78 2.55 3.45 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.242 . . . . 0.0 112.356 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER 70.49 168.63 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.38 -50.95 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -58.44 6.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 62' ' ' ALA . 6.0 m -70.9 -8.32 52.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' SER . . . 35.34 34.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.061 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -170.88 172.49 5.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 61.12 141.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.43 124.49 42.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.442 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 0.4 OUTLIER -119.19 148.07 43.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.45 ' HB3' ' CB ' ' A' ' 53' ' ' PHE . . . -87.67 114.59 24.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -94.36 160.02 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' ILE . 10.1 mmt180 34.58 80.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 74.7 mt -81.39 117.67 27.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -120.42 116.82 26.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -65.86 123.83 20.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.438 ' CD1' ' HG2' ' A' ' 10' ' ' MET . 63.8 mt -86.41 144.06 37.42 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.62 0.724 . . . . 0.0 110.977 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 168.67 20.83 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -75.29 116.83 16.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.43 -44.91 1.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.4 m -59.84 -59.58 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 111.128 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 t -88.06 160.86 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.42 131.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.814 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.476 ' CG ' HG13 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -166.77 143.97 4.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -74.93 131.42 40.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.9 157.74 43.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.37 162.12 15.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 67.1 m -119.51 153.05 35.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -122.57 83.39 0.36 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 105.77 1.55 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' SER . 66.7 p -177.6 94.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 87' ' ' SER . 1.1 m -34.61 139.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -132.8 -45.1 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.384 . . . . 0.0 110.88 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.4 m -75.41 148.42 39.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.97 133.96 5.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 t -131.46 144.62 51.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.847 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 t -140.99 -38.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.46 106.58 0.71 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.2 120.74 40.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -101.96 156.49 17.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.53 158.06 33.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.63 168.98 39.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.3 m -107.49 141.38 22.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.464 ' CD1' HG12 ' A' ' 23' ' ' ILE . 29.4 mm -76.17 89.71 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.81 -26.37 67.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.57 151.84 17.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -154.02 63.39 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 16.2 mmp_? -60.61 179.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.85 86.63 5.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.59 -31.27 2.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -155.5 -175.32 5.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.431 ' HA3' ' CZ ' ' A' ' 34' ' ' PHE . . . -163.05 -163.54 15.94 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.504 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -155.72 146.85 22.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.493 HD12 ' CD2' ' A' ' 34' ' ' PHE . 4.2 mt -132.2 104.56 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -58.99 111.58 1.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.0 m -77.98 122.21 25.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.489 HG23 ' CE2' ' A' ' 80' ' ' PHE . 17.2 t -63.4 -31.46 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.86 -43.62 44.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -97.68 179.75 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -101.72 -15.88 16.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 m -107.39 152.11 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 -68.36 -171.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.402 ' CE ' HG13 ' A' ' 55' ' ' VAL . 35.6 tpp -135.55 97.52 3.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -47.31 131.02 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.493 ' CD2' HD12 ' A' ' 23' ' ' ILE . 17.0 p90 -136.05 146.45 47.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -97.2 155.18 16.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -80.66 42.82 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.0 m -125.34 -25.74 3.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -82.73 -13.04 57.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.2 mt -70.74 0.32 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 pp -52.96 -23.22 6.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 3.3 t0 -43.15 -31.53 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' ND2' ' A' ' 43' ' ' ASN . . . 105.71 82.11 1.52 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 5.1 m-20 171.17 117.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.321 . . . . 0.0 110.912 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -76.38 101.65 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.9 mt -52.16 159.67 0.89 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.62 150.89 40.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.8 mm -48.23 107.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 76.66 63.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.11 135.74 47.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.462 ' HG2' ' CG1' ' A' ' 78' ' ' VAL . 2.0 mt-10 -62.7 138.13 58.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.9 m -138.37 156.7 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.162 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -118.37 128.78 54.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.551 ' CD1' HG23 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -147.87 156.36 42.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.8 m -70.97 -57.71 4.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.176 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.551 HG23 ' CD1' ' A' ' 53' ' ' PHE . 25.3 t 55.23 96.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.01 153.16 37.92 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.647 0.737 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 112.5 3.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.266 . . . . 0.0 112.303 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -102.61 165.24 11.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -85.07 0.64 50.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 mt -42.4 -31.06 0.38 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 62' ' ' ALA . 8.2 m 65.97 160.56 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 61' ' ' SER . . . 77.6 -56.98 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -95.6 -174.31 3.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.88 -159.39 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -49.21 144.41 5.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.528 ' CE1' ' CG2' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -134.28 147.47 50.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.33 118.45 29.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.528 ' CG2' ' CE1' ' A' ' 66' ' ' HIS . 3.0 pt -109.64 160.01 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' ILE . 26.2 mmm-85 36.27 77.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.458 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 89.3 mt -75.45 125.24 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -126.83 113.81 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -63.52 125.05 22.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 mt -99.88 149.81 36.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 159.94 51.54 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.619 2.212 . . . . 0.0 112.375 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.07 118.85 14.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 135.3 -20.26 3.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 54.7 m -71.45 -77.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 111.171 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.462 ' CG1' ' HG2' ' A' ' 50' ' ' GLU . 14.6 p -93.7 165.05 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.56 171.21 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.489 ' CE2' HG23 ' A' ' 26' ' ' VAL . 7.6 m-85 -114.68 36.29 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 55.73 82.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.7 119.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -86.52 122.63 30.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.37 169.25 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -156.29 146.43 13.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 149.8 67.09 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.8 p -168.16 107.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 t -173.36 -51.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.9 p -167.0 146.1 5.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.819 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -162.0 165.93 26.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.58 55.4 0.57 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -142.43 84.24 1.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.77 93.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.846 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.57 65.88 0.54 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -94.64 139.74 30.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -124.11 150.69 44.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.428 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.88 156.9 24.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.919 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.38 -175.45 33.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.52 HG21 ' CZ ' ' A' ' 80' ' ' PHE . 5.4 m -121.95 128.16 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.17 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.4 ' CD1' HG12 ' A' ' 23' ' ' ILE . 8.1 mm -61.25 85.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.22 -18.64 64.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.07 149.55 6.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.28 57.77 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 mmp_? -55.18 169.43 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.24 90.05 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.12 -36.63 2.07 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.442 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -153.18 -177.62 6.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.929 0.395 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.67 -170.34 33.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.519 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -139.78 159.0 43.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.5 HD13 ' CD1' ' A' ' 34' ' ' PHE . 7.7 mt -140.68 107.47 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -79.36 120.81 24.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.04 149.72 36.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 27' ' ' ASP . 25.0 m -71.4 -40.65 73.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.446 ' N ' HG22 ' A' ' 26' ' ' VAL . 5.2 t70 -85.42 -44.77 12.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.6 172.41 8.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.84 24.85 11.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.2 m -99.06 155.32 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.85 139.3 36.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.9 ttm -107.85 86.37 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -48.34 131.57 16.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.5 ' CD1' HD13 ' A' ' 23' ' ' ILE . 42.5 p90 -135.91 164.5 27.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -109.78 155.24 21.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -80.81 42.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.9 -24.41 4.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -85.3 -11.14 55.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.4 mt -71.61 0.43 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 pp -52.97 -23.68 7.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -44.39 -37.89 3.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.0 90.08 2.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 171.13 114.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -70.17 92.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.8 mt -55.07 160.65 1.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -155.83 167.18 31.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.484 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 46.1 mm -56.64 111.54 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 47' ' ' ILE . . . 83.34 49.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -111.15 134.24 52.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -85.78 117.85 24.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.4 m -127.69 165.1 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -122.09 131.99 54.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.403 ' CB ' ' HB2' ' A' ' 67' ' ' ALA . 3.5 p90 -145.62 158.92 43.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 95.4 m -91.05 120.89 32.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.117 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.5 t -111.14 119.75 60.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 m -137.38 144.29 44.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 127.7 15.0 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.23 157.23 31.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -78.59 -46.63 18.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 59' ' ' MET . 8.1 mt -37.15 -55.36 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.4 p -175.62 40.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . 60.14 35.53 21.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -45.56 162.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -47.58 97.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -34.44 147.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.11 160.22 19.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.403 ' HB2' ' CB ' ' A' ' 53' ' ' PHE . . . -107.62 135.82 48.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 69' ' ' ARG . 8.0 pt -124.62 157.97 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 68' ' ' ILE . 7.5 mmt85 37.22 81.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.0 mt -78.87 114.44 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.6 125.54 45.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -65.68 148.43 51.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.428 ' CD1' ' HG2' ' A' ' 10' ' ' MET . 15.8 mt -107.39 146.86 34.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.552 0.691 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 149.57 67.08 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.234 . . . . 0.0 112.363 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 147.99 20.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.08 53.51 3.12 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 52.7 m -165.06 -65.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 111.153 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 t -72.56 153.5 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -158.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.52 ' CZ ' HG21 ' A' ' 12' ' ' VAL . 57.3 m-85 61.61 134.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.93 165.74 23.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 66.2 m -105.67 -43.72 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -100.27 152.28 20.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 t 67.25 37.15 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -90.44 -158.02 34.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.475 ' O ' ' CB ' ' A' ' 87' ' ' SER . 53.6 Cg_endo -69.75 2.69 3.3 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 86' ' ' PRO . 1.1 t 81.25 -56.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.01 121.16 5.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -125.84 99.79 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.51 105.35 10.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.21 103.27 2.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.35 -53.23 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.359 . . . . 0.0 110.85 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -105.89 -56.14 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.45 145.34 4.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -115.41 114.9 25.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 0.0 110.817 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.453 ' O ' ' CE1' ' A' ' 53' ' ' PHE . 3.5 mm-40 -104.14 148.5 26.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.36 152.27 22.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.35 156.27 26.85 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.511 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 m -97.72 138.96 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.8 mm -66.79 133.02 31.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.26 -20.84 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.8 168.65 25.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.8 mtp -159.78 44.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.12 164.75 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.02 89.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.68 -37.89 1.68 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -157.65 -166.67 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.66 -162.77 21.45 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.441 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CE1' ' HD2' ' A' ' 31' ' ' ARG . 15.2 m-85 -139.94 155.44 47.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.4 mt -140.87 111.33 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -88.89 100.84 13.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.1 m -65.82 169.86 6.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.542 HG21 ' CD1' ' A' ' 80' ' ' PHE . 66.0 t -81.65 -53.02 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -34.4 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -101.02 130.27 47.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.02 34.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.6 163.51 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.446 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 14.2 ptt180 -90.1 141.57 28.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.0 tpp -105.77 93.27 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -51.25 113.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -119.97 157.65 28.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -105.78 155.01 19.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -81.72 41.16 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -122.89 -21.87 5.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' N ' ' OE1' ' A' ' 38' ' ' GLU . 0.4 OUTLIER -88.63 -10.9 47.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.4 mt -71.14 0.36 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 pp -52.89 -20.73 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.32 -38.49 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.59 82.36 1.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 173.12 149.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.764 0.316 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.96 106.32 17.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.33 170.29 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -170.01 146.45 3.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' HIS . 12.8 mm -34.12 116.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 70.21 62.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.434 ' OD2' ' CE ' ' A' ' 72' ' ' LYS . 2.4 m-20 -123.98 131.42 53.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -68.63 131.46 45.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.8 m -141.25 141.23 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -110.83 128.48 55.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.453 ' CE1' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -136.14 154.12 51.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 47.2 m -77.33 -54.43 6.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.1 t 63.81 130.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.178 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.0 m -160.2 148.67 13.42 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.609 0.718 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 105.63 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -132.86 165.37 24.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.1 38.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.7 mt -97.18 -53.84 3.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 m -96.67 34.9 1.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . 76.32 -64.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.067 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 175.9 40.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.964 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -126.1 19.15 7.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 58.05 163.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -143.88 174.9 10.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.81 135.63 53.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.2 pt -124.59 154.02 31.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 68' ' ' ILE . 1.9 mmm180 36.88 69.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 40.6 mt -68.42 110.06 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.24 108.71 20.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.434 ' CE ' ' OD2' ' A' ' 49' ' ' ASP . 11.7 tttm -66.65 108.9 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.9 mt -73.15 143.81 83.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.583 0.706 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 147.91 64.19 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.66 2.24 . . . . 0.0 112.391 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -48.25 138.93 9.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.89 61.24 1.61 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.412 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.4 m -148.4 -50.77 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.372 . . . . 0.0 111.119 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.7 t -113.56 148.88 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.31 146.97 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.542 ' CD1' HG21 ' A' ' 26' ' ' VAL . 3.3 p90 -169.97 -49.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -83.71 111.34 19.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.15 127.5 14.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.62 138.63 58.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.58 44.01 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -135.85 83.44 0.27 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -173.72 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.76 127.84 53.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -118.41 -45.65 2.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.9 80.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -120.11 122.79 41.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.0 -64.42 0.42 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -128.12 93.53 3.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -131.44 141.04 49.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.96 78.29 0.3 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.445 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -107.08 128.2 54.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.838 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -118.82 149.53 41.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -113.4 151.39 31.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.38 170.84 38.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.4 m -105.07 143.79 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 111.161 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mm -72.02 114.84 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.65 -28.97 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.38 155.27 38.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.5 mmm -146.75 37.1 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' HE ' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -50.83 163.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.6 105.55 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.06 -27.69 6.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -175.01 171.56 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 0.0 110.848 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.96 -152.2 5.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.414 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 16.8 m-85 -148.28 148.7 30.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.564 HD13 ' CD1' ' A' ' 34' ' ' PHE . 6.8 mt -132.03 91.69 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.04 110.31 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -73.87 149.54 41.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.516 HG13 ' CE2' ' A' ' 80' ' ' PHE . 34.9 m -90.29 -12.74 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.117 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.82 -42.03 8.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -96.53 -177.55 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -105.0 -7.55 19.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.6 m -109.0 170.18 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.414 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -100.01 171.31 7.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 39.2 tpp -123.44 98.35 5.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -65.97 129.23 39.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.564 ' CD1' HD13 ' A' ' 23' ' ' ILE . 5.4 p90 -116.36 170.58 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -108.81 155.18 21.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -82.05 42.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.5 m -127.79 -30.33 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -81.57 -13.74 57.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 52.3 mt -71.41 0.42 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.41 ' C ' HD11 ' A' ' 40' ' ' LEU . 2.5 pp -52.97 -21.88 4.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 0.0 OUTLIER -41.66 -39.91 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.794 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.49 83.06 1.31 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.529 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 176.34 115.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -67.7 92.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.4 mt -56.23 160.79 2.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -156.09 168.27 27.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.0 mm -55.09 141.32 11.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.51 48.8 19.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -112.35 140.61 46.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -86.3 135.38 33.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 28.9 m -149.42 152.45 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.117 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' HB2' ' CD2' ' A' ' 73' ' ' LEU . 4.2 tt0 -118.28 133.36 55.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.455 ' CB ' ' HB1' ' A' ' 67' ' ' ALA . 13.1 p90 -146.69 157.76 43.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.5 m -90.43 138.35 31.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.2 t -110.4 121.05 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.9 m -142.7 144.31 29.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.637 0.732 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 58' ' ' ASP . 53.1 Cg_endo -69.77 107.9 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.298 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' PRO . 13.5 m-20 -37.31 145.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -5.57 39.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -104.88 -40.94 5.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.2 p -130.17 106.05 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -42.63 -41.29 3.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -83.73 160.57 21.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 73.49 130.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -127.55 155.91 43.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.03 157.07 29.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.455 ' HB1' ' CB ' ' A' ' 53' ' ' PHE . . . -98.28 116.44 30.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 69' ' ' ARG . 5.4 pt -96.9 155.62 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' ILE . 2.4 mmm180 34.81 83.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.431 ' O ' ' CG ' ' A' ' 41' ' ' ASP . 96.2 mt -81.01 117.49 27.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -119.55 146.01 45.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.71 123.43 29.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.419 ' CD2' ' HB2' ' A' ' 52' ' ' GLU . 10.8 mt -80.02 148.79 68.82 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 168.16 22.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 145.95 50.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.9 49.03 30.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 42.6 m -125.99 -48.12 1.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.6 t -102.61 155.01 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.28 170.38 11.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.516 ' CE2' HG13 ' A' ' 26' ' ' VAL . 25.1 m-85 -121.38 126.07 48.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.0 -52.44 2.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.17 122.27 31.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -111.84 112.04 23.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.0 p -129.1 142.08 51.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.81 171.77 42.95 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.512 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 88.66 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.324 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.58 133.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.6 m -52.78 130.06 31.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.808 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.5 t -155.4 86.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -104.7 167.53 9.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.54 81.22 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -145.34 101.55 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.04 108.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.97 119.88 5.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -102.15 129.41 48.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.803 0.335 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.1 153.9 19.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.0 mtm -151.23 137.07 18.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.8 -152.11 6.32 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.8 m -122.04 147.73 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.764 0.316 . . . . 0.0 111.122 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.464 ' CD1' HG12 ' A' ' 23' ' ' ILE . 29.5 mm -79.29 123.23 35.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.45 -43.11 12.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.97 163.26 35.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 mmm -139.47 39.05 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.447 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 6.8 mmp_? -39.87 148.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.07 90.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.02 -28.05 3.38 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 17' ' ' ARG . 2.7 p90 -159.02 170.46 22.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.383 . . . . 0.0 110.911 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.37 -157.99 7.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -153.32 148.32 26.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.518 HD11 ' CD1' ' A' ' 34' ' ' PHE . 9.4 mt -133.9 108.34 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -81.71 121.53 26.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.96 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.2 t -93.06 142.17 27.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.528 HG22 ' CE2' ' A' ' 80' ' ' PHE . 96.2 t -68.4 -42.66 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.05 -42.85 31.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -98.0 124.17 42.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -82.76 43.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.7 m -141.74 141.4 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -79.3 153.39 29.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.41 ' CE ' HG21 ' A' ' 55' ' ' VAL . 30.6 tpp -117.6 91.65 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.524 ' O ' ' CG ' ' A' ' 33' ' ' PHE . 1.9 p90 -58.42 120.14 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.518 ' CD1' HD11 ' A' ' 23' ' ' ILE . 47.4 p90 -115.27 170.06 8.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -113.26 154.06 27.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -81.79 41.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.2 -27.05 3.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -82.86 -9.84 59.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.2 mt -71.78 0.31 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.0 -25.75 13.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.92 -32.1 13.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.89 94.06 2.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 170.66 101.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -63.1 86.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.421 HD22 ' CG1' ' A' ' 51' ' ' VAL . 32.3 mt -49.67 161.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -165.6 154.02 11.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' HIS . 38.0 mm -35.92 107.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 61.31 84.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.98 2.68 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 61.97 116.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.421 ' CG1' HD22 ' A' ' 45' ' ' LEU . 34.3 m -135.97 153.24 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -122.69 126.36 47.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.517 ' CD1' ' HB2' ' A' ' 67' ' ' ALA . 7.7 p90 -142.98 160.6 40.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.9 m -97.64 129.72 44.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.169 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.41 HG21 ' CE ' ' A' ' 32' ' ' MET . 79.4 t -114.68 101.19 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.4 m -131.47 144.6 54.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 116.42 4.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.736 2.291 . . . . 0.0 112.348 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -98.52 148.59 23.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.18 36.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.53 -30.75 10.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.62 176.52 8.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.25 64.28 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 71.31 81.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.44 84.2 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.86 132.0 52.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.467 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 0.5 OUTLIER -132.34 144.68 50.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.517 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . . . -86.24 114.18 22.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.1 pt -100.53 160.69 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 68' ' ' ILE . 2.0 mmt85 35.06 90.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.2 mt -87.32 114.85 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -126.62 106.99 9.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.56 144.16 6.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 mt -101.68 147.6 34.08 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.594 0.712 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 169.2 19.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.89 140.56 53.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.46 63.02 1.08 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 42.1 m -159.87 -60.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 111.132 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.7 t -101.36 150.88 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.67 172.1 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.528 ' CE2' HG22 ' A' ' 26' ' ' VAL . 77.3 m-85 -116.43 -45.95 2.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -175.71 120.95 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.84 90.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -57.57 165.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.1 m -154.6 93.97 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -37.33 -64.67 0.68 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 158.1 58.09 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.679 2.252 . . . . 0.0 112.375 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -166.35 93.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.6 m 54.24 168.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.507 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.8 153.55 19.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.839 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 p -175.38 163.56 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.18 -122.23 0.89 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t 64.85 101.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -148.46 -46.81 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.9 100.68 0.18 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.62 143.1 39.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -115.55 154.18 29.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.3 mtm -131.0 137.27 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.76 -142.02 3.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.6 142.85 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 111.082 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.9 mm -68.08 140.93 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.151 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.16 -34.74 6.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.18 155.33 40.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 38.6 mmm -135.27 42.85 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -42.28 148.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.27 91.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.54 -27.54 4.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -158.39 176.86 11.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -152.95 -157.31 7.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -154.3 149.96 27.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.543 HD13 ' CD1' ' A' ' 34' ' ' PHE . 7.0 mt -131.11 112.31 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -81.6 120.47 25.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 m -78.49 151.0 32.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.8 m -72.25 -30.05 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -107.91 -43.85 4.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -79.03 128.16 32.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.87 33.67 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.3 m -135.23 139.41 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.09 156.73 24.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.4 tpp -114.8 90.56 3.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.545 ' CD2' ' O ' ' A' ' 33' ' ' PHE . 2.8 t80 -52.72 100.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.543 ' CD1' HD13 ' A' ' 23' ' ' ILE . 47.8 p90 -99.68 163.65 12.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.01 155.19 23.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.799 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -81.64 41.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.39 -25.66 3.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -86.17 -11.17 53.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.7 mt -72.51 0.41 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.3 pp -52.94 -23.84 8.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 7.5 t70 -41.02 -35.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' ' ND2' ' A' ' 43' ' ' ASN . . . 109.41 86.13 1.73 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.494 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 5.5 m-20 170.54 117.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.733 0.301 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -74.62 98.2 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.4 mt -56.31 163.41 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -159.84 155.91 26.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.7 mm -44.74 121.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 69.21 50.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -110.42 137.98 47.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -79.08 123.0 26.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.1 m -138.01 161.7 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -132.87 122.91 25.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -132.55 157.34 44.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.2 m -88.38 132.2 34.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.0 t -108.31 116.27 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.4 m -150.75 144.44 17.28 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.64 0.733 . . . . 0.0 111.083 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 153.42 68.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.634 2.223 . . . . 0.0 112.349 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -117.97 163.56 16.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -75.73 -13.56 60.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.35 -44.76 96.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 m -142.8 171.72 13.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.23 -42.53 18.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.2 84.48 2.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -172.0 107.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -101.98 -177.98 3.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.432 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 0.3 OUTLIER -154.92 147.55 24.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.43 120.94 33.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.6 pt -112.02 156.97 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 38.49 78.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.414 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 93.9 mt -78.07 124.14 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -123.75 151.15 43.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.3 127.33 38.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.7 mt -84.67 144.05 41.91 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 156.77 62.32 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.687 2.258 . . . . 0.0 112.278 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -58.11 139.38 54.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.01 60.44 1.67 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 95.1 m -150.13 -57.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.347 . . . . 0.0 111.116 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -102.19 152.99 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.99 176.8 2.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -120.84 172.88 7.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -58.14 9.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.8 119.79 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -76.48 125.22 28.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.4 t -62.54 157.01 21.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.14 146.2 5.32 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.82 28.88 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.6 p -143.33 136.12 27.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.0 p -124.86 120.69 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.9 m -125.27 116.67 22.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.91 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 m -155.39 109.88 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.6 -51.02 0.48 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.65 -56.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.13 -74.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.35 47.03 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -86.65 160.55 18.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.753 0.311 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -134.76 154.54 51.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.53 152.37 26.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.87 156.4 28.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.2 m -100.57 136.35 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 111.103 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.404 ' CD1' HG12 ' A' ' 23' ' ' ILE . 17.9 mm -65.62 120.88 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.22 -12.29 26.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.1 160.56 18.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 90.0 mtp -142.32 39.84 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 mmp_? -40.11 157.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -67.6 85.43 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.29 -38.59 1.78 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.664 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 15.3 p90 -153.67 171.2 19.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.903 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.58 -159.32 8.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -137.76 157.51 46.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.404 HG12 ' CD1' ' A' ' 13' ' ' ILE . 4.5 mt -140.77 112.82 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -79.21 84.77 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -53.54 146.03 13.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.448 HG23 ' CD1' ' A' ' 80' ' ' PHE . 78.5 t -74.45 -32.98 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -86.29 -40.5 15.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.2 mtt85 -105.91 141.19 37.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.65 28.59 2.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.0 m -122.88 136.38 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -59.62 139.38 57.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.02 85.91 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.664 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -45.58 113.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -129.03 155.13 45.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -107.84 155.16 20.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -80.95 42.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.02 -23.06 4.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.7 -14.32 40.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.3 mt -70.63 0.39 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 pp -52.92 -22.56 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.69 -26.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.26 91.64 2.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 170.25 139.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -95.12 92.62 6.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.447 HD13 ' CG ' ' A' ' 72' ' ' LYS . 0.9 OUTLIER -48.06 176.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.47 149.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -41.38 116.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 73.75 59.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -122.7 135.29 54.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -77.74 129.01 34.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.1 m -134.49 146.36 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -112.33 121.85 46.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.456 ' CB ' ' HB2' ' A' ' 67' ' ' ALA . 1.7 p90 -132.07 161.04 34.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.1 m -88.6 -57.26 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.6 t 64.35 124.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.3 m -140.42 152.39 66.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.683 0.754 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 2.9 3.1 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.701 2.267 . . . . 0.0 112.325 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.94 160.11 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -11.68 61.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 61' ' ' SER . 0.5 OUTLIER -88.57 -19.66 26.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 60' ' ' LEU . 2.4 m 34.32 42.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.29 43.43 1.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? 62.8 76.08 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -177.52 151.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -162.43 149.33 13.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -143.61 153.93 43.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.456 ' HB2' ' CB ' ' A' ' 53' ' ' PHE . . . -86.27 126.82 34.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 69' ' ' ARG . 3.2 pt -107.04 155.98 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' ILE . 56.6 mtm-85 34.59 79.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.2 mt -79.02 119.0 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -115.74 101.15 8.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.447 ' CG ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -54.03 121.27 7.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.3 mt -79.37 147.33 68.23 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.63 0.729 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 162.45 42.01 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.71 2.274 . . . . 0.0 112.341 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.16 104.41 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.6 56.31 0.22 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.511 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.2 m -140.08 -64.35 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 0.0 111.138 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 p -93.94 154.91 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.1 p -158.5 141.95 15.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.448 ' CD1' HG23 ' A' ' 26' ' ' VAL . 2.8 p90 -175.91 142.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -43.53 147.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.6 m -153.9 108.03 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.815 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -106.64 128.79 54.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.6 m -127.86 -174.97 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.4 -95.01 0.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 153.69 68.56 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.291 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.97 171.02 7.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.3 m -134.59 121.83 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.43 142.5 41.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.899 0.381 . . . . 0.0 110.868 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.9 p -94.29 113.66 25.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.814 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.94 -120.95 6.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.6 p -45.53 99.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 110.885 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.92 -51.38 0.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.32 46.89 0.31 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 -92.24 154.67 18.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.3 . . . . 0.0 110.932 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -133.93 151.19 51.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.2 157.19 19.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.61 168.8 41.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.7 m -102.58 148.27 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.077 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.452 ' CD1' HG12 ' A' ' 23' ' ' ILE . 18.7 mm -72.99 112.31 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.26 -10.91 58.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -179.22 146.78 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.05 63.42 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 mmp_? -57.2 -171.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -79.36 79.96 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.72 -58.13 0.62 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -125.53 -169.12 1.94 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.91 0.386 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.37 -145.55 5.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.53 ' CD1' ' HG3' ' A' ' 31' ' ' ARG . 25.7 m-85 -161.93 145.89 12.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 110.822 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.452 HG12 ' CD1' ' A' ' 13' ' ' ILE . 10.7 mt -126.19 113.28 33.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.66 113.55 20.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.53 144.47 41.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.3 t -70.77 -44.02 76.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.25 -40.62 51.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.41 ' CD ' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -94.25 136.33 34.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -88.38 39.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.41 HG21 ' CD ' ' A' ' 28' ' ' ARG . 22.5 m -137.94 167.21 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.53 ' HG3' ' CD1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -105.06 148.97 26.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.41 ' CE ' HG13 ' A' ' 55' ' ' VAL . 18.5 tpp -114.16 120.4 40.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.512 ' O ' ' CG ' ' A' ' 33' ' ' PHE . 1.5 p90 -78.06 121.11 23.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -120.4 162.2 19.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -104.51 155.23 19.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.64 38.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.0 m -122.6 -24.21 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -84.62 -10.5 57.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.442 ' O ' ' CG2' ' A' ' 39' ' ' ILE . 53.0 mt -70.87 0.43 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.9 pp -53.05 -19.53 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 0.5 OUTLIER -50.73 -17.72 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.18 87.55 1.33 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 173.32 113.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.771 0.319 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.93 86.55 1.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.8 mt -46.45 154.79 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -150.03 150.2 31.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.445 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 39.3 mm -41.46 113.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 47' ' ' ILE . . . 79.81 62.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.049 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -133.76 136.76 44.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.459 ' HG2' ' CG1' ' A' ' 78' ' ' VAL . 1.7 mt-10 -75.71 139.36 41.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.4 m -142.92 147.85 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -110.99 115.7 29.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.5 ' CG ' ' HB2' ' A' ' 67' ' ' ALA . 13.5 p90 -138.45 157.07 46.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.7 m -96.59 121.75 38.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.41 HG13 ' CE ' ' A' ' 32' ' ' MET . 58.6 t -111.82 114.0 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.3 m -136.3 144.57 48.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.631 0.729 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 145.66 57.99 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.24 159.31 17.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.28 49.79 1.03 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mt -134.47 15.09 3.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.9 m 62.52 159.3 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . 48.83 28.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -148.24 166.95 26.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 65' ' ' ASN . 8.2 ttp180 -172.75 149.38 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 64' ' ' ARG . 38.1 p30 -35.34 147.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.419 ' CE1' HG22 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -155.77 170.05 22.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.5 ' HB2' ' CG ' ' A' ' 53' ' ' PHE . . . -97.26 128.31 44.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.419 HG22 ' CE1' ' A' ' 66' ' ' HIS . 24.5 pt -116.86 152.06 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 40.19 72.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.459 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 49.6 mt -70.25 114.0 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -117.98 121.66 41.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.97 135.31 52.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.0 mt -105.39 144.09 28.11 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.613 0.721 . . . . 0.0 110.895 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 154.97 66.93 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.334 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -60.21 131.84 52.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.7 -40.52 2.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.427 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 97.7 m -52.15 -69.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.127 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.459 ' CG1' ' HG2' ' A' ' 50' ' ' GLU . 5.2 p -108.17 172.12 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.75 -179.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 7.1 m-85 -118.3 -60.76 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -155.44 -56.33 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.2 m -147.76 84.78 1.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -95.52 120.22 35.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 93.2 p -134.72 117.38 15.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 179.23 82.99 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 127.05 14.09 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.707 2.271 . . . . 0.0 112.375 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.3 t -67.35 149.78 49.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.912 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.29 85.27 2.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.812 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m 60.84 115.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.918 0.39 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.13 132.21 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.3 50.05 0.8 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.65 120.84 40.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.881 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.56 163.1 15.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.15 43.1 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.478 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -120.79 148.7 43.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.72 0.295 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -126.92 169.88 12.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.418 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -118.95 156.28 29.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -161.58 165.64 35.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.569 HG21 ' CZ ' ' A' ' 80' ' ' PHE . 33.2 m -103.41 139.6 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.459 ' CD1' HG12 ' A' ' 23' ' ' ILE . 7.9 mm -72.4 99.33 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.64 -26.74 68.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.05 157.41 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.064 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.3 ptm -156.67 81.55 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -94.73 154.13 17.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -43.14 105.39 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.47 -54.99 0.78 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -153.44 -172.34 4.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.854 0.359 . . . . 0.0 110.918 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.05 -158.48 8.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CZ ' ' CE2' ' A' ' 20' ' ' PHE . 24.3 m-85 -152.29 151.78 31.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.548 HD13 ' CD1' ' A' ' 34' ' ' PHE . 8.6 mt -137.74 111.93 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -86.26 139.5 30.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.67 158.44 27.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.3 t -64.86 -46.29 92.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -101.32 -41.85 6.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.41 158.35 36.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.73 42.89 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 m -122.84 146.78 27.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.92 127.96 44.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 32.5 tpp -97.0 86.12 3.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.505 ' O ' ' CG ' ' A' ' 33' ' ' PHE . 2.1 p90 -56.96 121.02 8.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.548 ' CD1' HD13 ' A' ' 23' ' ' ILE . 20.1 p90 -118.76 168.73 10.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -104.01 155.17 18.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -80.65 42.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 m -124.77 -24.17 4.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.831 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -83.84 -9.41 58.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.5 mt -73.43 0.4 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 pp -52.84 -20.46 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 3.3 t0 -50.54 -17.85 0.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . 85.16 90.83 0.83 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.461 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 7.3 m-20 171.28 116.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.767 0.318 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.64 109.91 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.461 ' CD2' ' O ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -72.02 164.21 26.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -168.26 154.54 7.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 46' ' ' HIS . 30.0 mm -35.12 120.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 44.91 82.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.74 2.92 10.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.47 ' HG2' ' CG1' ' A' ' 78' ' ' VAL . 4.9 mt-10 54.15 106.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.4 m -125.99 160.15 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 73' ' ' LEU . 3.0 tt0 -117.86 127.34 53.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -136.36 161.28 36.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.8 m -85.75 -45.15 11.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 81.4 t 60.44 118.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.7 m -139.22 144.98 42.71 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.616 0.722 . . . . 0.0 111.153 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 0.91 4.9 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.8 174.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.6 mmm -110.95 -41.17 4.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.5 mt -50.84 -61.43 2.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 t -111.64 129.23 56.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.33 -46.15 80.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.069 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.47 99.4 10.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.28 89.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -103.89 125.44 50.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -139.36 150.57 45.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.94 129.47 34.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.2 pt -112.82 163.43 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 40.88 64.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.436 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 75.2 mt -69.0 121.21 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.34 129.61 43.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 140.08 46.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 52' ' ' GLU . 88.6 mt -105.9 144.29 28.6 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.61 0.719 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 168.83 20.37 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.382 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 155.41 39.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.6 55.73 6.5 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 50.5 m -162.77 -52.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.107 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 50' ' ' GLU . 20.6 t -91.08 158.16 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -155.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.569 ' CZ ' HG21 ' A' ' 12' ' ' VAL . 38.7 m-85 60.32 108.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -108.15 98.66 8.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.9 t -52.53 113.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -64.47 133.34 52.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.54 116.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.32 147.46 34.46 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 152.7 69.27 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.692 2.262 . . . . 0.0 112.305 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.1 p -137.34 91.5 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.1 p -123.41 -54.23 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.456 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -135.86 152.85 51.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.353 . . . . 0.0 110.85 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -163.23 145.16 9.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.41 66.5 0.49 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.478 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.39 117.25 33.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.852 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.48 96.5 10.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.1 80.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -112.98 123.79 51.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -100.34 160.78 14.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.0 mtm -140.49 137.53 33.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.57 -157.16 8.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.47 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.4 m -125.51 148.27 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.345 . . . . 0.0 111.146 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.7 mm -85.25 98.09 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.11 -26.0 61.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -154.45 146.77 23.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.067 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.416 ' HA ' ' CA ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -156.81 79.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.444 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 12.7 mmp_? -69.54 -172.25 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -78.68 89.07 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.87 -45.99 1.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -137.44 -176.14 4.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.416 ' CA ' ' HA ' ' A' ' 16' ' ' MET . . . -163.63 -147.16 4.97 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.464 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -159.75 152.17 21.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.3 mt -134.12 112.78 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -74.12 115.22 13.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.67 126.72 31.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.535 ' CG1' ' CG ' ' A' ' 80' ' ' PHE . 18.4 m -62.58 -32.57 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.162 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -96.26 -44.05 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.3 mtt85 -85.74 151.9 23.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.0 31.72 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.8 123.55 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -62.61 159.77 15.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.3 tpp -111.26 133.59 53.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -87.65 105.68 17.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -106.59 159.75 15.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -109.34 154.53 22.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -82.88 39.61 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.3 t -122.83 -31.87 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -80.78 -11.14 59.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.7 mt -70.62 0.33 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 pp -52.89 -24.77 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.972 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.46 -25.14 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . 100.97 91.84 2.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.418 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 7.2 m-20 170.49 113.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.342 . . . . 0.0 110.881 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.12 89.44 3.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 71.7 mt -54.74 167.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -167.33 -172.62 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.1 mm -64.81 115.17 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 70.39 58.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.06 119.63 30.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -56.53 145.8 26.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.4 m -152.8 154.37 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -129.58 119.97 24.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.49 ' CG ' ' HB3' ' A' ' 67' ' ' ALA . 4.7 p90 -138.19 161.64 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.0 m -98.43 96.16 7.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.5 t -67.97 123.85 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.5 m -154.49 144.34 15.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 162.01 43.72 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.251 . . . . 0.0 112.325 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.34 169.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -39.79 62.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 mt -86.9 27.49 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.5 p 41.65 45.08 2.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.32 28.42 4.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.05 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 46.86 80.27 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.5 75.52 1.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -67.73 125.28 25.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.498 ' CE1' ' CG2' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -134.52 170.57 15.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.49 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . . . -117.72 120.81 39.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.498 ' CG2' ' CE1' ' A' ' 66' ' ' HIS . 6.3 pt -101.26 158.05 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' ILE . 1.0 OUTLIER 34.67 86.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 53.5 mt -90.95 112.93 25.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -124.24 106.27 10.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' HB3' ' CG ' ' A' ' 43' ' ' ASN . 14.3 tttt -44.34 148.96 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.1 mt -100.81 146.09 31.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 150.88 68.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.362 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.92 137.86 31.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.72 59.22 2.25 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.508 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 93.7 m -143.52 -47.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.855 0.36 . . . . 0.0 111.14 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 t -106.34 153.65 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.72 116.53 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.535 ' CG ' ' CG1' ' A' ' 26' ' ' VAL . 2.0 p90 -151.33 -46.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -93.52 104.58 16.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.1 p -118.25 41.89 2.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -100.51 124.19 45.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.5 m 62.36 147.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.45 160.25 36.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 114.99 3.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.731 2.287 . . . . 0.0 112.302 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 84.2 p -101.69 133.69 46.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.3 141.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.472 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.93 82.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.79 156.03 19.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.95 141.2 12.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.438 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.9 p -176.23 122.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -62.67 -48.39 79.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.51 177.06 19.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -99.07 120.95 40.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -112.68 161.97 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.458 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -110.68 154.63 23.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.19 160.3 33.92 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.8 m -98.06 144.9 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.407 ' CD1' HG12 ' A' ' 23' ' ' ILE . 6.4 mm -76.59 122.96 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.27 -34.74 12.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.95 160.05 33.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.2 mtp -155.37 41.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.09 159.38 7.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.32 96.26 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.02 -50.01 0.9 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -147.86 -179.86 7.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.85 -149.89 5.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.421 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 49.7 m-85 -155.85 139.64 16.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 110.922 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.449 HD13 ' CD1' ' A' ' 34' ' ' PHE . 2.9 mt -120.44 113.93 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -81.17 136.27 35.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.6 m -92.45 139.57 30.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.556 HG11 ' CE2' ' A' ' 80' ' ' PHE . 5.5 m -65.0 -34.48 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -92.35 -46.18 7.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.82 149.97 26.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -100.42 37.4 1.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.2 m -137.95 174.3 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.421 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 18.0 ptt180 -108.41 166.54 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.83 85.65 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' ' 33' ' ' PHE . 2.8 t80 -47.04 100.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.449 ' CD1' HD13 ' A' ' 23' ' ' ILE . 42.4 p90 -101.25 164.31 11.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -111.46 155.22 23.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -82.4 39.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.26 -30.22 2.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -79.89 -12.12 59.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.46 ' CD1' HD12 ' A' ' 45' ' ' LEU . 67.9 mt -70.71 0.4 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 pp -52.89 -21.82 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.5 t0 -50.51 -28.13 7.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.68 93.38 2.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.413 ' CG ' ' HB2' ' A' ' 72' ' ' LYS . 3.2 m-80 170.76 112.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -76.44 85.38 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' A' ' 39' ' ' ILE . 63.3 mt -38.66 154.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 47' ' ' ILE . 1.5 m-70 -148.15 138.84 23.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 46' ' ' HIS . 46.3 mm -35.92 110.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 75.86 71.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.078 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.34 133.35 29.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.08 132.74 48.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.455 HG13 ' CD2' ' A' ' 45' ' ' LEU . 31.2 m -141.36 154.93 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -117.46 128.31 54.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 67' ' ' ALA . 3.0 p90 -144.6 156.33 44.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.46 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 51.0 m -97.02 122.5 40.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.6 t -103.78 128.26 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 m -136.26 150.4 70.78 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.595 0.712 . . . . 0.0 111.158 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 2.8 3.2 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.392 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 62.51 152.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -56.62 16.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 61' ' ' SER . 4.6 mt -91.68 -68.3 0.8 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 60' ' ' LEU . 50.1 m -35.9 107.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.39 -52.13 20.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -113.89 68.4 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -162.58 140.66 8.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -137.93 161.8 35.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.406 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 0.3 OUTLIER -149.17 146.31 27.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.567 ' HB2' ' CD2' ' A' ' 53' ' ' PHE . . . -90.65 124.89 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.46 ' CG1' ' HB ' ' A' ' 54' ' ' THR . 1.6 pt -106.22 159.01 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' ILE . 4.7 mmt85 36.0 79.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 79.3 mt -82.84 123.02 38.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.401 ' HB2' ' CG ' ' A' ' 41' ' ' ASP . 12.9 ttpt -136.76 115.24 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.413 ' HB2' ' CG ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -56.61 137.22 54.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.458 ' CD1' ' HG2' ' A' ' 10' ' ' MET . 37.4 mt -90.94 151.03 42.95 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.64 0.733 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 150.63 68.7 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.399 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 139.52 55.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.27 64.16 1.67 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.6 m -156.21 -38.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 111.132 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.8 t -115.57 152.71 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 m -160.0 174.2 14.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.556 ' CE2' HG11 ' A' ' 26' ' ' VAL . 35.4 m-85 -115.83 140.63 49.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.52 -45.3 4.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.32 120.47 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -74.59 165.43 25.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.6 p -160.1 177.56 10.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.9 146.18 37.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 117.89 5.36 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.0 t -126.89 -68.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.0 p 178.89 161.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -105.87 143.63 33.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -153.66 113.14 3.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.29 122.35 6.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 m -96.11 119.98 35.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.905 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -165.95 131.0 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.0 84.09 0.31 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -116.63 124.07 48.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 110.875 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -100.45 149.24 23.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.86 138.17 54.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.83 178.21 36.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 m -98.09 152.58 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.125 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.5 mm -80.72 121.31 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.11 -20.51 28.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.05 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.7 151.94 7.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.109 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.3 mmm -135.13 41.06 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.8 mmp_? -45.59 148.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.88 97.75 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.23 -33.16 4.45 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -154.39 168.31 27.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.898 0.38 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.58 -147.92 4.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 31' ' ' ARG . 15.0 m-85 -156.61 167.38 30.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.45 HD13 ' CD2' ' A' ' 34' ' ' PHE . 3.6 mt -147.27 105.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -88.22 109.46 19.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.0 172.64 5.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.644 ' CG1' ' CE2' ' A' ' 80' ' ' PHE . 29.2 m -92.54 -38.75 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.403 ' N ' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -95.04 -35.3 11.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -42.02 30.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 62.46 42.6 8.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 m -139.15 148.84 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.485 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.0 ptt180 -82.49 125.18 30.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.84 94.76 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -49.62 135.04 19.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.45 ' CD2' HD13 ' A' ' 23' ' ' ILE . 30.1 p90 -153.86 155.19 35.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -95.38 155.19 16.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -81.3 41.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.82 -17.71 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.493 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 0.5 OUTLIER -86.14 -9.46 56.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.7 mt -74.31 0.4 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.167 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 pp -52.92 -15.91 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -14.72 3.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.5 77.05 0.45 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -144.71 9.76 1.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' ASN . 3.0 mt-30 34.38 82.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mp -61.64 173.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.479 ' CB ' ' OD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -171.95 157.18 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -43.65 135.73 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 52.23 59.49 4.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.479 ' OD2' ' CB ' ' A' ' 46' ' ' HIS . 50.7 m-20 -125.15 120.44 31.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.6 124.88 23.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.1 m -131.51 144.87 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -104.49 127.54 52.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.436 ' CB ' ' HB1' ' A' ' 67' ' ' ALA . 12.5 p90 -140.27 157.47 45.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 91.6 m -103.73 111.76 24.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.108 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.3 t -80.24 124.24 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.4 m -136.43 144.38 47.26 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.614 0.721 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 152.18 69.0 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.717 2.278 . . . . 0.0 112.317 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.36 171.0 8.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.98 8.63 25.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -94.99 -44.22 7.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 81.4 p -166.49 153.37 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.23 -33.65 28.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.95 83.86 3.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -178.14 104.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.85 176.62 8.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.489 ' CE1' ' CG2' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -156.66 164.82 37.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.436 ' HB1' ' CB ' ' A' ' 53' ' ' PHE . . . -96.43 116.6 29.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.489 ' CG2' ' CE1' ' A' ' 66' ' ' HIS . 9.5 pt -103.99 161.67 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' ILE . 3.3 mmt180 34.6 71.58 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.8 mt -71.37 119.46 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -127.01 111.05 13.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.5 156.39 3.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.2 mt -119.71 147.54 44.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.948 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 156.1 64.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 0.0 112.349 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -62.06 122.48 15.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 129.7 -55.07 0.77 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.1 m -46.2 -62.38 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.33 . . . . 0.0 111.12 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.5 t -90.59 157.87 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.76 177.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.644 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 5.1 m-85 -121.79 176.68 5.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -113.52 -44.51 3.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -86.92 136.73 32.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -113.96 152.63 30.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.88 -55.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 164.3 82.16 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -6.85 19.57 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.695 2.264 . . . . 0.0 112.345 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.02 103.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.877 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.85 117.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.452 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 t -107.78 -45.07 4.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.9 p 178.98 96.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.821 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.64 -64.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.3 p -122.11 141.02 51.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.948 0.404 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.98 102.68 3.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.79 51.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.455 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.84 130.1 34.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 110.82 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -109.77 152.46 25.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.68 158.54 31.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.96 161.21 35.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.7 m -96.38 134.64 33.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.784 0.325 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.421 ' CD1' HG12 ' A' ' 23' ' ' ILE . 27.5 mm -66.76 121.14 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.37 -39.31 14.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.54 164.5 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.414 ' CE ' ' HB2' ' A' ' 45' ' ' LEU . 85.9 mtp -141.47 45.38 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' MET . 4.8 mmp_? -37.47 148.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -60.96 85.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.49 -28.8 3.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.488 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -157.48 162.84 38.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.953 0.406 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.455 ' C ' ' CE1' ' A' ' 34' ' ' PHE . . . -137.38 179.38 18.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -119.06 161.58 20.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.421 HG12 ' CD1' ' A' ' 13' ' ' ILE . 21.7 mt -140.14 120.51 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.91 123.99 35.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 90.3 m -81.39 145.57 30.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.557 HG23 ' CZ ' ' A' ' 80' ' ' PHE . 43.1 t -82.52 -23.52 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 27' ' ' ASP . 0.8 OUTLIER -105.76 -32.07 8.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -104.56 148.49 26.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.19 41.13 1.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.4 m -137.62 125.11 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -61.01 161.57 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.9 ttm -134.23 73.61 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -44.16 142.34 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.455 ' CE1' ' C ' ' A' ' 21' ' ' GLY . 26.3 p90 -133.99 170.18 16.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -113.99 154.38 27.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -81.6 41.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.4 -29.48 3.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.63 -11.08 57.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.469 HG21 ' CD2' ' A' ' 45' ' ' LEU . 35.4 mt -70.79 0.56 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.3 pp -52.73 -23.9 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -43.01 -40.45 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.07 86.8 1.39 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 171.68 134.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.748 0.309 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.07 111.84 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.469 ' CD2' HG21 ' A' ' 39' ' ' ILE . 3.3 mm? -56.48 -177.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.49 149.68 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.4 mm -47.16 115.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 74.51 53.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -119.1 135.94 54.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.6 143.26 33.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.5 m -148.81 142.21 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -104.6 132.95 50.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.468 ' CB ' ' HB3' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -139.52 150.7 45.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.3 m -72.0 -50.23 30.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.1 t 60.37 125.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.8 m -154.22 144.91 16.04 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.617 0.722 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 86.12 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.366 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -44.66 161.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.43 34.63 5.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.5 mt -135.06 -55.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.5 m -122.37 119.73 31.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.37 45.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -88.96 29.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.2 tpt85 74.33 131.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -42.99 134.56 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -101.38 177.45 4.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.468 ' HB3' ' CB ' ' A' ' 53' ' ' PHE . . . -109.65 120.12 41.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' ARG . 7.3 pt -101.11 161.8 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.16 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER 35.12 70.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 42.7 mt -71.22 109.79 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -117.16 119.35 34.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.43 124.93 25.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 mt -85.99 152.63 56.47 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 147.67 63.06 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.655 2.237 . . . . 0.0 112.366 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -55.13 124.69 17.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.58 -52.43 0.73 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.4 m -41.15 -48.34 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 111.183 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.408 HG11 ' N ' ' A' ' 79' ' ' SER . 21.3 t -114.76 160.05 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.408 ' N ' HG11 ' A' ' 78' ' ' VAL . 0.7 OUTLIER 179.68 174.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.784 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.557 ' CZ ' HG23 ' A' ' 26' ' ' VAL . 10.3 m-85 -114.73 45.82 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 60.83 144.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 84.6 p -92.99 175.05 6.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -97.56 164.17 12.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.809 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.5 134.61 23.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.6 -86.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 135.18 29.79 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.631 2.221 . . . . 0.0 112.372 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.2 169.8 9.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 57.07 94.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m 54.37 41.32 32.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.914 0.388 . . . . 0.0 110.855 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.45 173.0 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.96 -138.91 9.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.5 p 39.99 80.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 0.0 110.877 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.0 p -127.57 175.88 7.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.53 60.17 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.422 ' CZ ' ' OG1' ' A' ' 54' ' ' THR . 14.0 mmt180 -79.89 136.76 36.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.78 0.324 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -111.2 147.32 35.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.6 156.29 19.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.41 162.23 31.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -98.05 142.64 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.803 0.335 . . . . 0.0 111.134 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.465 ' CD1' HG12 ' A' ' 23' ' ' ILE . 45.8 mm -74.53 106.25 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.13 -44.9 17.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.66 155.38 33.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 42.2 mtp -148.03 47.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -53.61 176.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -81.96 43.66 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.28 -48.79 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.507 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 22.0 p90 -136.46 -178.79 5.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.918 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.5 -161.89 15.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -138.08 143.42 40.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.465 HG12 ' CD1' ' A' ' 13' ' ' ILE . 18.4 mt -128.08 88.65 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -56.06 119.77 6.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.72 144.45 37.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.456 HG12 ' CG ' ' A' ' 80' ' ' PHE . 17.4 m -83.28 -10.69 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -101.29 -46.89 4.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -100.87 163.0 12.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.72 40.93 1.16 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.0 m -143.11 146.62 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -84.35 154.11 23.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.7 tpp -107.07 115.45 30.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.507 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -66.5 112.26 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -118.69 152.01 36.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -106.92 155.2 20.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -80.61 42.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.3 -27.51 3.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -80.3 -12.8 59.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.432 ' CD1' HD12 ' A' ' 45' ' ' LEU . 40.7 mt -70.7 0.49 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -52.92 -24.71 9.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -45.84 -37.57 6.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.88 93.92 2.22 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.504 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 170.2 98.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.48 90.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.432 HD12 ' CD1' ' A' ' 39' ' ' ILE . 29.9 mt -57.8 155.37 10.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -144.84 156.02 43.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.9 mm -43.73 127.05 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 61.99 59.19 1.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -127.71 137.42 52.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -67.3 139.51 57.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.6 m -143.43 144.41 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -109.05 129.91 55.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 53' ' ' PHE . 2.5 p90 -148.18 150.8 34.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.422 ' OG1' ' CZ ' ' A' ' 8' ' ' ARG . 23.9 m -88.91 111.15 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.4 t -91.62 132.67 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.8 m -155.92 150.52 20.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.62 0.724 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 110.91 2.67 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.712 2.275 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.41 161.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.88 32.07 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.98 -37.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.53 136.52 47.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.75 84.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.135 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -100.05 73.87 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.34 141.5 14.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -149.79 154.45 38.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -139.08 177.56 7.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.419 ' HB2' ' CB ' ' A' ' 53' ' ' PHE . . . -125.79 122.02 34.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.076 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.6 pt -109.21 160.22 8.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' ILE . 2.1 mmt-85 34.66 81.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.3 mt -76.95 115.09 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.06 114.64 19.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.415 ' NZ ' ' HA ' ' A' ' 45' ' ' LEU . 13.8 tttp -53.87 152.43 5.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.963 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.4 mt -111.18 147.48 36.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.624 0.726 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 160.42 49.78 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.266 . . . . 0.0 112.329 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.55 125.97 27.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.13 -45.99 1.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 73.8 m -51.07 -75.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.87 150.42 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.13 118.04 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.467 ' O ' ' CG ' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -161.77 45.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -177.44 -49.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.89 81.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.53 151.87 19.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.1 t -104.69 130.09 52.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.83 146.45 10.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -0.43 6.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.9 m 60.95 104.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.9 t -73.6 168.32 19.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -121.98 -58.45 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.919 0.39 . . . . 0.0 110.89 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m 49.04 90.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.8 -149.48 37.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 t -132.34 111.12 11.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.941 0.401 . . . . 0.0 110.835 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.0 m -124.14 114.47 19.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.25 66.51 0.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.5 mtt85 -89.12 129.04 35.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.737 0.304 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -116.39 165.34 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.422 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -128.24 153.24 47.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.02 172.81 38.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.3 m -111.45 138.29 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 111.158 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.7 mm -67.98 142.33 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.11 -25.6 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.98 135.16 47.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 48.9 mmm -142.91 51.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.464 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 13.6 mmp_? -46.39 -85.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -160.04 51.76 0.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.504 ' HA2' ' CG ' ' A' ' 36' ' ' PHE . . . 139.28 -41.93 1.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.494 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -123.2 163.84 19.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -175.5 -125.68 0.89 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.507 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -157.74 169.22 25.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.3 mt -147.83 96.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.71 109.33 2.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 t -70.31 153.23 43.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 27' ' ' ASP . 6.6 m -85.67 -30.08 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.453 ' N ' HG23 ' A' ' 26' ' ' VAL . 7.4 t0 -83.69 -43.0 15.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.7 164.52 12.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.93 38.34 2.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.6 m -138.43 176.74 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.2 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -101.56 149.56 23.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -115.66 73.82 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 32' ' ' MET . 1.5 t80 -37.07 149.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -153.36 159.68 42.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -106.66 155.39 19.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CG ' ' HA2' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -82.81 37.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.35 -17.87 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -92.8 -12.67 30.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.478 HD11 ' CD1' ' A' ' 36' ' ' PHE . 55.5 mt -70.71 0.49 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 40' ' ' LEU . 2.0 pp -52.85 -20.76 3.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 8.4 t70 -44.96 -27.66 0.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.58 82.92 1.66 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 171.58 122.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -76.1 127.9 33.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 1.6 mm? -81.8 165.39 20.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.474 ' N ' ' OD2' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -167.44 147.37 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.876 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.43 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 44.3 mm -41.28 116.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 47' ' ' ILE . . . 79.43 51.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.474 ' OD2' ' N ' ' A' ' 46' ' ' HIS . 1.8 m-20 -117.07 130.43 56.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.19 135.32 36.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.6 m -139.85 169.39 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -132.64 127.11 34.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -138.51 150.24 46.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.7 m -76.91 -60.88 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 67.8 t 63.25 137.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.8 m -150.99 144.67 17.38 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.585 0.707 . . . . 0.0 111.15 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 145.46 57.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -97.72 -176.54 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.0 mmm -128.77 -44.02 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 61' ' ' SER . 4.3 mp -128.04 -51.75 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -35.2 114.96 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -34.01 -60.33 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -43.3 162.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.35 -159.55 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -45.72 101.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.517 ' CE1' ' CG2' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -112.93 147.4 37.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.95 124.57 33.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.517 ' CG2' ' CE1' ' A' ' 66' ' ' HIS . 1.6 pt -110.27 161.56 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' ILE . 28.4 mmt85 34.43 77.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 69.2 mt -77.69 126.25 37.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -131.12 122.91 27.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.23 133.33 46.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.422 ' CD1' ' HG2' ' A' ' 10' ' ' MET . 11.9 mt -94.47 149.22 36.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.742 . . . . 0.0 110.931 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 154.03 68.27 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.752 2.301 . . . . 0.0 112.32 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 111.82 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.89 -44.1 1.03 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.444 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.8 m -58.9 -52.15 66.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 111.15 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 t -100.42 152.33 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.44 126.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.469 ' O ' ' CD1' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -162.97 130.4 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.1 t60 54.64 107.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.1 m -61.04 119.89 9.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -87.44 133.56 33.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 m -159.66 127.66 4.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.13 83.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 113.38 3.35 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.326 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.1 t -128.96 -45.28 1.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.88 164.52 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.471 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -110.6 167.78 9.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 0.0 110.864 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.25 175.49 11.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.919 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.05 60.37 3.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.58 109.31 10.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.852 0.358 . . . . 0.0 110.906 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.5 -63.73 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.05 115.28 3.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -96.31 120.15 36.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -108.54 157.81 18.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.484 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 1.7 ptt? -149.15 150.14 32.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -148.72 -144.2 3.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -131.22 136.06 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 111.135 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.7 mm -66.22 114.56 3.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.56 -27.51 17.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.43 165.12 27.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.067 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.1 mtp -153.57 34.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.6 156.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.85 94.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.73 -47.4 1.02 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -155.03 -175.67 5.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.31 -132.68 1.36 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.462 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.592 ' CZ ' ' CZ ' ' A' ' 33' ' ' PHE . 8.9 m-85 -154.06 157.07 38.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 mt -136.0 106.7 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.5 112.27 17.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.53 156.12 31.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.81 -50.52 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -39.02 61.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -97.28 146.3 25.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -106.36 40.83 1.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.95 132.33 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.479 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 23.2 mtt180 -67.65 135.4 52.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.09 111.07 23.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.592 ' CZ ' ' CZ ' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -69.83 123.38 21.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.853 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -128.69 160.61 31.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -108.01 155.2 20.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.33 36.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.1 m -120.42 -28.14 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -80.28 -14.07 58.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 34.8 mt -70.79 0.47 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 pp -52.8 -26.07 13.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -40.86 -29.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.15 90.43 2.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 170.03 105.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.727 0.298 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -64.79 95.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 mt -59.54 156.88 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -141.47 170.44 15.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.1 116.21 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 76.73 58.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.36 150.42 45.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -81.14 131.96 35.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.484 ' O ' ' CB ' ' A' ' 10' ' ' MET . 0.8 OUTLIER -138.78 142.32 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.153 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -118.03 128.53 54.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.508 ' CG ' ' HB2' ' A' ' 67' ' ' ALA . 5.5 p90 -148.23 155.22 41.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.6 m -89.59 122.1 32.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.3 t -97.77 117.41 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.1 m -139.21 144.77 41.9 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.631 0.729 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 143.2 50.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.351 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -121.91 142.05 50.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.799 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.93 22.82 13.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mp -127.43 41.04 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 80.6 p -178.37 44.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . 48.0 37.58 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.081 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 72.58 107.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.7 138.7 4.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.9 149.34 21.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.447 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 0.3 OUTLIER -140.97 145.42 35.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.508 ' HB2' ' CG ' ' A' ' 53' ' ' PHE . . . -89.61 119.27 29.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.8 pt -99.46 155.68 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER 34.77 84.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.2 mt -84.17 113.67 23.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.68 115.35 23.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.92 139.63 33.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.403 HD11 ' C ' ' A' ' 51' ' ' VAL . 10.5 mt -97.39 148.87 35.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.613 0.72 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.38 65.11 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -48.25 149.52 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.72 65.82 2.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.5 m -150.47 -48.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.841 0.353 . . . . 0.0 111.099 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 t -110.21 154.9 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 m -172.45 169.62 5.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 81' ' ' HIS . 19.1 m-85 -118.29 84.95 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER 34.7 77.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.42 178.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.28 127.6 53.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.805 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 79.9 p -53.71 102.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -94.3 -169.27 37.55 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -12.96 34.15 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.713 2.275 . . . . 0.0 112.352 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.5 t -41.92 114.59 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.7 p -68.12 -177.73 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 179.938 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t 54.43 95.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.372 . . . . 0.0 110.894 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.6 p -142.36 110.86 6.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.4 -176.52 37.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.52 40.03 3.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 110.819 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 m -81.52 44.03 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.54 62.64 0.35 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -83.93 132.21 34.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.328 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -112.41 152.04 29.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -112.29 156.47 22.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.92 160.95 34.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.495 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.0 m -96.64 145.48 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 111.177 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.421 ' CD1' HG12 ' A' ' 23' ' ' ILE . 19.6 mm -69.94 122.88 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.16 -28.68 14.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.56 158.53 41.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 56.5 mmm -144.67 83.83 1.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.463 ' N ' ' HD3' ' A' ' 17' ' ' ARG . 0.7 OUTLIER -97.75 150.21 21.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -61.22 94.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.14 -34.8 2.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -159.99 177.98 10.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.849 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.21 -163.34 12.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.498 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 6.4 m-85 -145.68 145.64 30.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.421 HG12 ' CD1' ' A' ' 13' ' ' ILE . 6.3 mt -135.64 96.89 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -63.39 122.53 16.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.17 129.32 39.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 p -58.94 -37.8 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -94.3 -42.14 9.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -86.6 178.63 7.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -122.6 47.7 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.9 m -140.02 146.5 24.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.498 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 4.0 mtt-85 -81.85 150.29 27.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.491 ' CE ' ' O ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -112.35 81.12 1.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -41.79 116.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -124.86 161.84 25.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -113.12 155.24 25.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -80.54 43.04 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.4 m -128.44 -29.94 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -81.39 -16.52 51.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.6 mt -70.24 0.42 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 pp -52.63 -25.24 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.91 -29.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.453 ' O ' ' ND2' ' A' ' 43' ' ' ASN . . . 107.76 89.56 2.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 5.6 m-20 169.51 121.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -82.3 118.08 22.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.4 mp -76.06 172.04 13.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -175.16 156.36 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' HIS . 33.2 mm -37.31 118.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 62.71 70.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.416 ' CG ' ' HE3' ' A' ' 72' ' ' LYS . 19.7 m-20 -132.13 128.07 37.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -69.06 131.46 45.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.8 m -140.66 135.87 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -104.55 129.35 52.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.458 ' CB ' ' HB3' ' A' ' 67' ' ' ALA . 1.5 p90 -136.41 154.32 50.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.5 m -84.48 -55.93 3.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.119 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.7 t 64.49 141.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.5 m -153.9 143.96 15.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.718 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 131.13 20.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.91 166.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.1 mtm -81.92 -38.9 24.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -72.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.7 m -164.91 48.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . 41.17 44.42 2.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -50.7 -39.35 51.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -164.18 139.44 5.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.491 ' O ' ' CE ' ' A' ' 32' ' ' MET . 1.0 OUTLIER -99.44 119.36 37.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.46 159.7 15.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.458 ' HB3' ' CB ' ' A' ' 53' ' ' PHE . . . -97.69 113.13 24.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 69' ' ' ARG . 6.2 pt -91.8 160.31 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' ILE . 50.3 mtm-85 34.34 77.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.9 mt -84.85 118.93 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -133.18 122.91 24.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.416 ' HE3' ' CG ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -56.62 150.77 14.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 52' ' ' GLU . 3.5 mt -103.0 148.16 35.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.954 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 150.34 68.52 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.369 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.09 141.03 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.65 60.53 1.97 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.4 m -152.58 -46.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 0.0 111.149 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.5 t -108.82 149.41 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.9 p -167.31 143.24 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -173.45 42.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 59.04 82.73 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 t -169.67 147.83 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.02 110.72 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.5 p -106.26 146.5 30.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.91 -160.36 28.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 130.86 20.03 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.3 p -123.52 -47.67 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.9 t -153.55 -59.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -121.53 160.93 23.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.374 . . . . 0.0 110.897 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -90.63 42.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.82 89.93 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -159.99 111.2 1.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 110.879 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.69 -50.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.66 101.98 0.36 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.511 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -102.21 119.78 39.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.724 0.297 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -98.77 154.97 17.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -125.27 158.37 34.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.65 -168.93 29.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.451 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 m -126.59 126.89 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.0 mm -59.28 136.85 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -112.75 -27.12 8.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.89 154.72 42.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.0 mmm -147.05 37.69 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.44 161.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -64.21 96.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.91 -46.26 1.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -147.32 -177.89 5.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.376 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.83 -137.15 2.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.552 ' CD1' ' HG3' ' A' ' 31' ' ' ARG . 29.0 m-85 -160.51 152.62 20.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.9 mt -135.09 100.33 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.171 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -78.51 119.83 22.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -72.34 168.57 18.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.603 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 95.0 t -85.45 -40.32 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.115 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.42 -34.44 14.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -94.73 130.26 41.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -89.36 40.36 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.2 m -141.59 125.05 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.552 ' HG3' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -64.49 157.96 25.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 47.8 tpp -112.82 110.48 20.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.35 109.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -118.64 166.09 13.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -111.58 154.95 24.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -80.91 42.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.5 -14.87 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.448 ' HB3' ' N ' ' A' ' 69' ' ' ARG . 2.2 mm-40 -90.54 -13.79 33.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.5 mt -72.6 0.46 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 40' ' ' LEU . 1.5 pp -52.85 -15.94 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 70' ' ' ILE . 0.9 OUTLIER -50.9 -30.07 13.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.02 89.65 2.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 171.72 130.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -79.09 73.3 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.404 HD12 ' CG2' ' A' ' 70' ' ' ILE . 6.1 mt -53.06 175.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.55 -175.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' ALA . 35.7 mm -44.4 127.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ILE . . . 35.44 88.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -133.21 13.73 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 54.68 107.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 m -128.44 152.34 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -119.5 116.69 26.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.474 ' CD2' ' HB2' ' A' ' 67' ' ' ALA . 2.4 p90 -127.43 161.15 29.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.2 m -94.79 110.55 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 71.9 t -86.5 108.98 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.0 m -121.11 144.27 39.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.597 0.713 . . . . 0.0 111.145 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 0.29 5.79 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.741 2.294 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 66.3 -178.61 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.0 mtp -119.67 45.22 2.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.6 mt -132.7 -54.71 0.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.1 p -150.36 176.6 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.95 48.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -166.5 32.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.14 119.21 16.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.36 149.28 52.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.505 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 0.5 OUTLIER -149.41 138.6 21.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.474 ' HB2' ' CD2' ' A' ' 53' ' ' PHE . . . -86.42 124.34 32.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.4 pp -119.83 165.53 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.448 ' N ' ' HB3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER 34.93 73.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.43 ' O ' ' CG ' ' A' ' 41' ' ' ASP . 48.1 mt -69.14 126.7 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -127.34 119.07 25.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.28 145.42 55.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.1 mt -114.56 148.06 39.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.588 0.708 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.16 64.66 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.91 142.29 46.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.68 -36.78 4.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.8 m -55.91 -66.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.859 0.362 . . . . 0.0 111.151 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.9 t -99.72 157.04 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.61 147.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.603 ' CE1' ' CG2' ' A' ' 26' ' ' VAL . 44.3 p90 -179.69 118.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 54.87 94.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.7 m -153.32 90.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -89.49 113.12 24.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.823 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 51.0 p -47.07 120.6 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 159.56 -161.56 32.29 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 117.54 5.14 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -154.17 94.92 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -161.65 -50.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.493 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.0 p -165.58 134.17 3.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 110.844 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 p -114.98 165.0 13.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.6 53.83 0.28 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.1 t -103.04 -51.16 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -114.71 145.34 42.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.03 143.99 15.46 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.524 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.94 132.04 47.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -110.96 157.75 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -120.02 158.51 26.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.33 175.35 40.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 m -118.16 121.31 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 111.154 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.455 ' CD1' HG12 ' A' ' 23' ' ' ILE . 16.4 mm -48.51 119.4 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.52 -27.03 21.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.428 ' O ' ' CG2' ' A' ' 13' ' ' ILE . . . -146.63 166.77 25.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 29.3 mtp -154.33 53.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.42 157.8 36.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.34 106.61 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.65 -43.34 1.36 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.54 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -152.52 -174.65 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.932 0.396 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.549 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -157.42 -161.43 10.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.478 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 21' ' ' GLY . 19.9 m-85 -151.67 153.93 35.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.455 HG12 ' CD1' ' A' ' 13' ' ' ILE . 14.9 mt -134.31 120.14 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.92 108.12 19.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.08 149.85 8.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.79 -18.19 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.94 -42.29 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -79.04 -179.49 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -124.3 5.68 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.55 147.69 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 -76.74 162.42 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.8 ttm -122.49 101.49 7.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -54.17 136.57 42.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -145.79 149.31 34.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -91.12 155.19 18.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.469 ' CD1' HD12 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -83.83 35.61 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.47 -21.35 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -80.38 -3.54 50.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.469 HD12 ' CD1' ' A' ' 36' ' ' PHE . 46.2 mt -77.05 0.33 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 pp -52.86 -19.26 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -51.38 -19.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.87 80.98 1.5 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 172.68 107.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.774 0.321 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -69.52 95.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.2 mt -45.07 158.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -150.69 157.13 42.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.8 mm -50.16 123.76 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.162 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 59.88 63.59 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.069 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.442 ' OD2' ' NZ ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -130.94 125.38 33.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -55.99 142.81 34.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -147.63 144.42 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -115.62 128.98 56.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.552 ' CD1' HG21 ' A' ' 55' ' ' VAL . 1.2 p90 -140.81 149.43 42.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.4 m -67.76 -48.27 66.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.552 HG21 ' CD1' ' A' ' 53' ' ' PHE . 41.1 t 53.79 102.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.65 156.41 75.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.654 0.74 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 1.41 4.45 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.641 2.227 . . . . 0.0 112.334 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 55.32 174.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.29 37.68 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.7 OUTLIER -106.08 -24.58 12.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 60' ' ' LEU . 2.3 m 76.85 168.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . 72.72 36.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 54.06 97.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -150.9 101.43 2.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.63 142.95 49.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -141.04 173.36 11.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.72 113.45 26.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' ARG . 4.8 pt -105.46 169.16 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' ILE . 23.0 mmt180 36.28 60.42 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.7 mt -67.02 117.58 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -126.57 129.61 48.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.442 ' NZ ' ' OD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -66.71 146.38 54.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.873 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.0 mt -106.45 147.12 34.36 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 159.83 52.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.24 132.45 46.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.74 -49.59 0.84 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.9 m -47.21 -67.97 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.846 0.355 . . . . 0.0 111.144 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.2 t -84.98 151.91 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.41 136.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -176.05 -33.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.435 ' O ' ' CB ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -47.49 -59.59 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 81' ' ' HIS . 2.0 t 78.12 -52.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -103.26 162.15 13.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.63 172.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 167.67 149.99 6.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.456 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 123.47 10.14 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.667 2.244 . . . . 0.0 112.355 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.0 m -140.27 127.96 21.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 t -135.8 -49.21 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.733 0.301 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -110.8 148.78 31.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.458 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -113.54 153.3 29.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.86 163.55 35.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.2 m -99.0 140.4 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.552 HD13 HG12 ' A' ' 23' ' ' ILE . 23.6 mm -69.39 123.83 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.69 -18.17 17.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.96 149.77 16.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.52 ' HG2' HG21 ' A' ' 13' ' ' ILE . 37.0 mmm -136.09 41.05 2.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' MET . 4.7 mmp_? -37.53 150.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -61.23 90.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.3 -26.6 4.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -153.53 -166.15 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.924 0.393 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -173.81 -153.24 9.57 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -155.17 149.13 25.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.576 HG21 ' HE2' ' A' ' 53' ' ' PHE . 14.9 mt -129.91 99.26 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -71.08 111.44 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.88 155.36 36.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.5 m -79.69 -29.81 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -95.69 -41.12 9.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -92.32 149.4 21.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -101.18 39.86 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 m -141.4 146.61 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -77.61 162.61 26.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.9 tpp -121.44 86.78 2.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -41.25 122.66 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -129.36 161.17 30.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -110.53 155.15 22.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -80.77 42.71 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.3 -25.66 3.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.4 -14.84 42.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.619 HG22 ' O ' ' A' ' 39' ' ' ILE . 72.1 mt -72.03 0.41 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.759 HD12 ' N ' ' A' ' 41' ' ' ASP . 1.8 pp -53.1 -17.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.759 ' N ' HD12 ' A' ' 40' ' ' LEU . 15.1 t70 -44.14 -37.88 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.449 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . 113.63 82.95 1.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.448 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 11.0 m-20 172.29 118.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -77.27 84.51 3.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.419 HD11 HG21 ' A' ' 70' ' ' ILE . 82.9 mt -45.42 168.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.1 167.58 22.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.597 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 49.7 mm -51.36 113.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 78.2 53.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.064 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -122.17 119.34 30.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.88 139.39 58.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.0 m -143.42 158.17 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -120.83 131.62 54.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.576 ' HE2' HG21 ' A' ' 23' ' ' ILE . 1.6 p90 -145.52 143.88 30.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 99.0 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 -179.891 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.852 0.358 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.19 148.07 43.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.67 114.59 24.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -94.36 160.02 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' ILE . 10.1 mmt180 34.58 80.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.419 HG21 HD11 ' A' ' 45' ' ' LEU . 74.7 mt -81.39 117.67 27.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -120.42 116.82 26.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -65.86 123.83 20.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.458 ' CD1' ' HG2' ' A' ' 10' ' ' MET . 63.8 mt -86.41 144.06 37.42 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.62 0.724 . . . . 0.0 110.977 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 168.67 20.83 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -75.29 116.83 16.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.43 -44.91 1.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.4 m -59.84 -59.58 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 111.128 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.829 0.347 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -101.96 156.49 17.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.53 158.06 33.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.63 168.98 39.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.3 m -107.49 141.38 22.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.718 HD13 HG12 ' A' ' 23' ' ' ILE . 29.4 mm -76.17 89.71 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.81 -26.37 67.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.419 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -161.57 151.84 17.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -154.02 63.39 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.429 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 16.2 mmp_? -60.61 179.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.85 86.63 5.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.59 -31.27 2.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -155.5 -175.32 5.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.432 ' HA3' ' CZ ' ' A' ' 34' ' ' PHE . . . -163.05 -163.54 15.94 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.504 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -155.72 146.85 22.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.718 HG12 HD13 ' A' ' 13' ' ' ILE . 4.2 mt -132.2 104.56 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -58.99 111.58 1.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.0 m -77.98 122.21 25.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.2 t -63.4 -31.46 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.86 -43.62 44.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -97.68 179.75 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -101.72 -15.88 16.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 m -107.39 152.11 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 -68.36 -171.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 35.6 tpp -135.55 97.52 3.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -47.31 131.02 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.462 ' CD2' HD11 ' A' ' 23' ' ' ILE . 17.0 p90 -136.05 146.45 47.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -97.2 155.18 16.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -80.66 42.82 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.0 m -125.34 -25.74 3.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -82.73 -13.04 57.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.563 HG22 ' O ' ' A' ' 39' ' ' ILE . 47.2 mt -70.74 0.32 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.711 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.6 pp -52.96 -23.22 6.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.711 ' N ' HD12 ' A' ' 40' ' ' LEU . 3.3 t0 -43.15 -31.53 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.71 82.11 1.52 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.1 m120 171.17 117.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.321 . . . . 0.0 110.912 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -76.38 101.65 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.9 mt -52.16 159.67 0.89 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.62 150.89 40.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.588 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 45.8 mm -48.23 107.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 76.66 63.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.11 135.74 47.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.465 ' HG2' ' CG1' ' A' ' 78' ' ' VAL . 2.0 mt-10 -62.7 138.13 58.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.9 m -138.37 156.7 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.162 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.785 ' HB2' HD21 ' A' ' 73' ' ' LEU . 7.4 tt0 -118.37 128.78 54.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.681 ' HE2' HG21 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -147.87 156.36 42.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.8 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.176 -179.916 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.88 0.372 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.28 147.47 50.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.33 118.45 29.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 69' ' ' ARG . 3.0 pt -109.64 160.01 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' ILE . 26.2 mmm-85 36.27 77.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.458 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 89.3 mt -75.45 125.24 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -126.83 113.81 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -63.52 125.05 22.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.785 HD21 ' HB2' ' A' ' 52' ' ' GLU . 1.5 mt -99.88 149.81 36.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 159.94 51.54 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.619 2.212 . . . . 0.0 112.375 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.07 118.85 14.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 135.3 -20.26 3.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 54.7 m -71.45 -77.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 111.171 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 50' ' ' GLU . 14.6 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.774 0.321 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -124.11 150.69 44.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.448 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.88 156.9 24.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.919 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.38 -175.45 33.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 m -121.95 128.16 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.17 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.401 ' CD1' HG12 ' A' ' 23' ' ' ILE . 8.1 mm -61.25 85.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.22 -18.64 64.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.45 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -167.07 149.55 6.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.28 57.77 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.45 ' NH1' ' HB1' ' A' ' 15' ' ' ALA . 14.7 mmp_? -55.18 169.43 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.24 90.05 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.12 -36.63 2.07 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.442 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -153.18 -177.62 6.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.929 0.395 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.67 -170.34 33.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.519 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -139.78 159.0 43.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.479 HD11 ' CD1' ' A' ' 34' ' ' PHE . 7.7 mt -140.68 107.47 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -79.36 120.81 24.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.04 149.72 36.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.0 m -71.4 -40.65 73.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.42 -44.77 12.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.6 172.41 8.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.84 24.85 11.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.2 m -99.06 155.32 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.85 139.3 36.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.9 ttm -107.85 86.37 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -48.34 131.57 16.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.479 ' CD1' HD11 ' A' ' 23' ' ' ILE . 42.5 p90 -135.91 164.5 27.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -109.78 155.24 21.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -80.81 42.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.9 -24.41 4.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -85.3 -11.14 55.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 39' ' ' ILE . 57.4 mt -71.61 0.43 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.807 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.7 pp -52.97 -23.68 7.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.807 ' N ' HD12 ' A' ' 40' ' ' LEU . 2.4 t0 -44.39 -37.89 3.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.0 90.08 2.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 171.13 114.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -70.17 92.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.8 mt -55.07 160.65 1.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -155.83 167.18 31.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.667 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 46.1 mm -56.64 111.54 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 83.34 49.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -111.15 134.24 52.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.662 ' HB3' HG21 ' A' ' 78' ' ' VAL . 2.5 mt-10 -85.78 117.85 24.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.4 m -127.69 165.1 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.43 ' HB2' HD21 ' A' ' 73' ' ' LEU . 6.0 tt0 -122.09 131.99 54.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -145.62 158.92 43.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 95.4 m . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.117 -179.881 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.11 160.22 19.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.62 135.82 48.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 69' ' ' ARG . 8.0 pt -124.62 157.97 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 68' ' ' ILE . 7.5 mmt85 37.22 81.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.0 mt -78.87 114.44 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.6 125.54 45.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -65.68 148.43 51.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.448 ' CD1' ' HG2' ' A' ' 10' ' ' MET . 15.8 mt -107.39 146.86 34.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.552 0.691 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 149.57 67.08 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.234 . . . . 0.0 112.363 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 147.99 20.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.08 53.51 3.12 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 52.7 m -165.06 -65.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 111.153 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.662 HG21 ' HB3' ' A' ' 50' ' ' GLU . 2.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.755 0.312 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.453 ' O ' ' CE1' ' A' ' 53' ' ' PHE . 3.5 mm-40 -104.14 148.5 26.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.552 ' HB3' HG21 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -104.36 152.27 22.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.35 156.27 26.85 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.511 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 m -97.72 138.96 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.8 mm -66.79 133.02 31.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.26 -20.84 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.445 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -153.8 168.65 25.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.8 mtp -159.78 44.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' NH1' ' HB1' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -56.12 164.75 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.02 89.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.68 -37.89 1.68 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -157.65 -166.67 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.66 -162.77 21.45 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.441 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CE1' ' HD2' ' A' ' 31' ' ' ARG . 15.2 m-85 -139.94 155.44 47.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.4 mt -140.87 111.33 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -88.89 100.84 13.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.1 m -65.82 169.86 6.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.0 t -81.65 -53.02 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -34.4 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -101.02 130.27 47.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.02 34.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.6 163.51 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 14.2 ptt180 -90.1 141.57 28.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.0 tpp -105.77 93.27 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -51.25 113.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -119.97 157.65 28.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -105.78 155.01 19.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -81.72 41.16 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -122.89 -21.87 5.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' N ' ' OE1' ' A' ' 38' ' ' GLU . 0.4 OUTLIER -88.63 -10.9 47.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.519 HG22 ' O ' ' A' ' 39' ' ' ILE . 16.4 mt -71.14 0.36 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.708 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.2 pp -52.89 -20.73 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.708 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -41.32 -38.49 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.59 82.36 1.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 173.12 149.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.764 0.316 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.96 106.32 17.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.33 170.29 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -170.01 146.45 3.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.471 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 12.8 mm -34.12 116.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 70.21 62.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.434 ' OD2' ' CE ' ' A' ' 72' ' ' LYS . 2.4 m-20 -123.98 131.42 53.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -68.63 131.46 45.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.8 m -141.25 141.23 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.437 ' HB2' HD11 ' A' ' 73' ' ' LEU . 15.6 tt0 -110.83 128.48 55.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.453 ' CE1' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -136.14 154.12 51.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 47.2 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 -179.936 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.876 0.369 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.88 174.9 10.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.81 135.63 53.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.2 pt -124.59 154.02 31.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 68' ' ' ILE . 1.9 mmm180 36.88 69.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 40.6 mt -68.42 110.06 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.24 108.71 20.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.434 ' CE ' ' OD2' ' A' ' 49' ' ' ASP . 11.7 tttm -66.65 108.9 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 52' ' ' GLU . 14.9 mt -73.15 143.81 83.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.583 0.706 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 147.91 64.19 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.66 2.24 . . . . 0.0 112.391 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -48.25 138.93 9.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.89 61.24 1.61 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.412 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.4 m -148.4 -50.77 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.372 . . . . 0.0 111.119 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.552 HG21 ' HB3' ' A' ' 10' ' ' MET . 25.7 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.801 0.334 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -118.82 149.53 41.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -113.4 151.39 31.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.38 170.84 38.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.4 m -105.07 143.79 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 111.161 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mm -72.02 114.84 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.65 -28.97 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.38 155.27 38.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.5 mmm -146.75 37.1 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.42 ' N ' ' HE ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -50.83 163.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.6 105.55 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.06 -27.69 6.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -175.01 171.56 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 0.0 110.848 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.96 -152.2 5.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.422 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 16.8 m-85 -148.28 148.7 30.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.534 HG21 ' HE2' ' A' ' 53' ' ' PHE . 6.8 mt -132.03 91.69 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.04 110.31 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -73.87 149.54 41.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.9 m -90.29 -12.74 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.82 -42.03 8.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -96.53 -177.55 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -105.0 -7.55 19.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.6 m -109.0 170.18 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.422 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -100.01 171.31 7.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.421 ' O ' HD12 ' A' ' 23' ' ' ILE . 39.2 tpp -123.44 98.35 5.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -65.97 129.23 39.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.527 ' CD1' HD11 ' A' ' 23' ' ' ILE . 5.4 p90 -116.36 170.58 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -108.81 155.18 21.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -82.05 42.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.5 m -127.79 -30.33 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -81.57 -13.74 57.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.588 HG22 ' O ' ' A' ' 39' ' ' ILE . 52.3 mt -71.41 0.42 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.789 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.5 pp -52.97 -21.88 4.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.789 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -41.66 -39.91 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.794 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.49 83.06 1.31 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.529 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 176.34 115.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -67.7 92.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.469 HD11 HG21 ' A' ' 70' ' ' ILE . 68.4 mt -56.23 160.79 2.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -156.09 168.27 27.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.0 mm -55.09 141.32 11.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.51 48.8 19.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -112.35 140.61 46.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -86.3 135.38 33.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 28.9 m -149.42 152.45 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.117 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.872 ' HB2' HD21 ' A' ' 73' ' ' LEU . 4.2 tt0 -118.28 133.36 55.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.534 ' HE2' HG21 ' A' ' 23' ' ' ILE . 13.1 p90 -146.69 157.76 43.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.5 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 -179.924 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.5 ' CE1' HG23 ' A' ' 68' ' ' ILE . 0.1 OUTLIER -120.03 157.07 29.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HB1' ' CB ' ' A' ' 53' ' ' PHE . . . -98.28 116.44 30.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.5 HG23 ' CE1' ' A' ' 66' ' ' HIS . 5.4 pt -96.9 155.62 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' ILE . 2.4 mmm180 34.81 83.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.469 HG21 HD11 ' A' ' 45' ' ' LEU . 96.2 mt -81.01 117.49 27.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -119.55 146.01 45.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.71 123.43 29.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.872 HD21 ' HB2' ' A' ' 52' ' ' GLU . 10.8 mt -80.02 148.79 68.82 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 168.16 22.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 145.95 50.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.9 49.03 30.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 42.6 m -125.99 -48.12 1.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.6 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.874 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.803 0.335 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.1 153.9 19.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.0 mtm -151.23 137.07 18.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.8 -152.11 6.32 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.8 m -122.04 147.73 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.764 0.316 . . . . 0.0 111.122 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.702 HD13 HG12 ' A' ' 23' ' ' ILE . 29.5 mm -79.29 123.23 35.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.45 -43.11 12.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.97 163.26 35.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 mmm -139.47 39.05 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.456 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 6.8 mmp_? -39.87 148.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.07 90.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.02 -28.05 3.38 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 17' ' ' ARG . 2.7 p90 -159.02 170.46 22.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.383 . . . . 0.0 110.911 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.37 -157.99 7.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -153.32 148.32 26.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.702 HG12 HD13 ' A' ' 13' ' ' ILE . 9.4 mt -133.9 108.34 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -81.71 121.53 26.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.96 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.2 t -93.06 142.17 27.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.4 -42.66 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.05 -42.85 31.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -98.0 124.17 42.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -82.76 43.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.7 m -141.74 141.4 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -79.3 153.39 29.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.6 tpp -117.6 91.65 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 33' ' ' PHE . 1.9 p90 -58.42 120.14 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -115.27 170.06 8.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -113.26 154.06 27.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -81.79 41.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.2 -27.05 3.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -82.86 -9.84 59.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.587 HG22 ' O ' ' A' ' 39' ' ' ILE . 64.2 mt -71.78 0.31 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.818 HD12 ' N ' ' A' ' 41' ' ' ASP . 3.3 pp -53.0 -25.75 13.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.818 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -49.92 -32.1 13.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.89 94.06 2.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 170.66 101.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -63.1 86.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.677 HD11 HG21 ' A' ' 70' ' ' ILE . 32.3 mt -49.67 161.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -165.6 154.02 11.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' HIS . 38.0 mm -35.92 107.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 61.31 84.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.98 2.68 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 61.97 116.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.484 HG11 HD22 ' A' ' 45' ' ' LEU . 34.3 m -135.97 153.24 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.757 ' HB2' HD21 ' A' ' 73' ' ' LEU . 1.6 tt0 -122.69 126.36 47.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CE2' HD13 ' A' ' 23' ' ' ILE . 7.7 p90 -142.98 160.6 40.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.9 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.169 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.34 144.68 50.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.428 ' HB1' ' CG ' ' A' ' 53' ' ' PHE . . . -86.24 114.18 22.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.1 pt -100.53 160.69 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.506 ' HE ' HD11 ' A' ' 40' ' ' LEU . 2.0 mmt85 35.06 90.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.677 HG21 HD11 ' A' ' 45' ' ' LEU . 70.2 mt -87.32 114.85 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -126.62 106.99 9.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.56 144.16 6.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.757 HD21 ' HB2' ' A' ' 52' ' ' GLU . 3.2 mt -101.68 147.6 34.08 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.594 0.712 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 169.2 19.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.89 140.56 53.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.46 63.02 1.08 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 42.1 m -159.87 -60.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 111.132 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -115.55 154.18 29.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.3 mtm -131.0 137.27 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.76 -142.02 3.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.6 142.85 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 111.082 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.695 HD13 HG12 ' A' ' 23' ' ' ILE . 24.9 mm -68.08 140.93 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.151 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.16 -34.74 6.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.433 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -149.18 155.33 40.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 38.6 mmm -135.27 42.85 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.433 ' NH1' ' HB1' ' A' ' 15' ' ' ALA . 17.0 mmp_? -42.28 148.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.27 91.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.54 -27.54 4.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -158.39 176.86 11.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -152.95 -157.31 7.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -154.3 149.96 27.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.695 HG12 HD13 ' A' ' 13' ' ' ILE . 7.0 mt -131.11 112.31 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -81.6 120.47 25.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 m -78.49 151.0 32.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.8 m -72.25 -30.05 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -107.91 -43.85 4.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -79.03 128.16 32.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.87 33.67 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.3 m -135.23 139.41 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.09 156.73 24.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.4 tpp -114.8 90.56 3.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.545 ' O ' ' CD2' ' A' ' 33' ' ' PHE . 2.8 t80 -52.72 100.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -99.68 163.65 12.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.01 155.19 23.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.799 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -81.64 41.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.39 -25.66 3.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -86.17 -11.17 53.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 39' ' ' ILE . 39.7 mt -72.51 0.41 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.816 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.3 pp -52.94 -23.84 8.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.816 ' N ' HD12 ' A' ' 40' ' ' LEU . 7.5 t70 -41.02 -35.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' ' ND2' ' A' ' 43' ' ' ASN . . . 109.41 86.13 1.73 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.494 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 5.5 m-20 170.54 117.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.733 0.301 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -74.62 98.2 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.4 mt -56.31 163.41 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -159.84 155.91 26.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.444 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 46.7 mm -44.74 121.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 69.21 50.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -110.42 137.98 47.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -79.08 123.0 26.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.1 m -138.01 161.7 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.492 ' HB2' HD21 ' A' ' 73' ' ' LEU . 10.8 tt0 -132.87 122.91 25.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.48 ' CE2' HD13 ' A' ' 23' ' ' ILE . 7.7 p90 -132.55 157.34 44.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.2 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 -179.912 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.853 0.358 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.92 147.55 24.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.43 120.94 33.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.6 pt -112.02 156.97 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 38.49 78.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.414 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 93.9 mt -78.07 124.14 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -123.75 151.15 43.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.407 ' HB2' ' CB ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -93.3 127.33 38.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 52' ' ' GLU . 9.7 mt -84.67 144.05 41.91 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.894 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 156.77 62.32 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.687 2.258 . . . . 0.0 112.278 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -58.11 139.38 54.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.01 60.44 1.67 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 95.1 m -150.13 -57.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.347 . . . . 0.0 111.116 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.753 0.311 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -134.76 154.54 51.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.53 152.37 26.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.87 156.4 28.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.2 m -100.57 136.35 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 111.103 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.414 ' CD1' HG12 ' A' ' 23' ' ' ILE . 17.9 mm -65.62 120.88 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.22 -12.29 26.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.1 160.56 18.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 90.0 mtp -142.32 39.84 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 mmp_? -40.11 157.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -67.6 85.43 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.29 -38.59 1.78 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.664 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 15.3 p90 -153.67 171.2 19.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.903 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.58 -159.32 8.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -137.76 157.51 46.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.522 HD11 ' CD1' ' A' ' 34' ' ' PHE . 4.5 mt -140.77 112.82 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -79.21 84.77 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -53.54 146.03 13.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.5 t -74.45 -32.98 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -86.29 -40.5 15.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.492 ' HB3' HG22 ' A' ' 30' ' ' VAL . 11.2 mtt85 -105.91 141.19 37.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.65 28.59 2.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.492 HG22 ' HB3' ' A' ' 28' ' ' ARG . 16.0 m -122.88 136.38 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -59.62 139.38 57.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.02 85.91 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.664 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -45.58 113.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.522 ' CD1' HD11 ' A' ' 23' ' ' ILE . 34.3 p90 -129.03 155.13 45.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -107.84 155.16 20.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -80.95 42.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.02 -23.06 4.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.7 -14.32 40.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.586 HD13 HD22 ' A' ' 45' ' ' LEU . 38.3 mt -70.63 0.39 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.771 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.2 pp -52.92 -22.56 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.771 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -41.69 -26.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.832 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.26 91.64 2.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 170.25 139.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -95.12 92.62 6.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.676 HD12 ' HG3' ' A' ' 72' ' ' LYS . 0.9 OUTLIER -48.06 176.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.47 149.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.532 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 16.3 mm -41.38 116.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 73.75 59.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -122.7 135.29 54.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -77.74 129.01 34.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.501 HG23 ' HE2' ' A' ' 53' ' ' PHE . 16.1 m -134.49 146.36 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -112.33 121.85 46.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.501 ' HE2' HG23 ' A' ' 51' ' ' VAL . 1.7 p90 -132.07 161.04 34.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.1 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 -179.895 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.857 0.36 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.61 153.93 43.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.27 126.82 34.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 69' ' ' ARG . 3.2 pt -107.04 155.98 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' ILE . 56.6 mtm-85 34.59 79.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.2 mt -79.02 119.0 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -115.74 101.15 8.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.676 ' HG3' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -54.03 121.27 7.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.3 mt -79.37 147.33 68.23 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.63 0.729 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 162.45 42.01 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.71 2.274 . . . . 0.0 112.341 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.16 104.41 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.6 56.31 0.22 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.511 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.2 m -140.08 -64.35 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 0.0 111.138 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.876 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.729 0.3 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -133.93 151.19 51.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.2 157.19 19.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.61 168.8 41.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.7 m -102.58 148.27 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.077 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.468 ' CD1' HG12 ' A' ' 23' ' ' ILE . 18.7 mm -72.99 112.31 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.26 -10.91 58.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.481 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -179.22 146.78 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.402 ' HE1' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -150.05 63.42 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.481 ' NH1' ' HB1' ' A' ' 15' ' ' ALA . 15.5 mmp_? -57.2 -171.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -79.36 79.96 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.72 -58.13 0.62 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -125.53 -169.12 1.94 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.91 0.386 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.37 -145.55 5.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.531 ' CD1' ' HG3' ' A' ' 31' ' ' ARG . 25.7 m-85 -161.93 145.89 12.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 110.822 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 13' ' ' ILE . 10.7 mt -126.19 113.28 33.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.66 113.55 20.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.53 144.47 41.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.3 t -70.77 -44.02 76.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.25 -40.62 51.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.25 136.33 34.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -88.38 39.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 m -137.94 167.21 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.531 ' HG3' ' CD1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -105.06 148.97 26.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.5 tpp -114.16 120.4 40.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 33' ' ' PHE . 1.5 p90 -78.06 121.11 23.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -120.4 162.2 19.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -104.51 155.23 19.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.64 38.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.0 m -122.6 -24.21 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -84.62 -10.5 57.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.647 HG22 ' O ' ' A' ' 39' ' ' ILE . 53.0 mt -70.87 0.43 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.729 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.9 pp -53.05 -19.53 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.729 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -50.73 -17.72 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.18 87.55 1.33 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 173.32 113.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.771 0.319 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.93 86.55 1.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.402 ' O ' ' HE1' ' A' ' 16' ' ' MET . 40.8 mt -46.45 154.79 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -150.03 150.2 31.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.629 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 39.3 mm -41.46 113.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 79.81 62.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.049 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -133.76 136.76 44.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.453 ' HG2' ' CG1' ' A' ' 78' ' ' VAL . 1.7 mt-10 -75.71 139.36 41.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.4 m -142.92 147.85 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.658 ' OE1' HD21 ' A' ' 73' ' ' LEU . 15.8 tt0 -110.99 115.7 29.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -138.45 157.07 46.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 38.1 p30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.93 0.395 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.77 170.05 22.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.26 128.31 44.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.5 pt -116.86 152.06 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.655 ' HD3' HD11 ' A' ' 40' ' ' LEU . 24.3 mmt85 40.19 72.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.459 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 49.6 mt -70.25 114.0 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -117.98 121.66 41.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.97 135.31 52.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.658 HD21 ' OE1' ' A' ' 52' ' ' GLU . 12.0 mt -105.39 144.09 28.11 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.613 0.721 . . . . 0.0 110.895 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 154.97 66.93 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.334 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -60.21 131.84 52.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.7 -40.52 2.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.427 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 97.7 m -52.15 -69.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.127 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.453 ' CG1' ' HG2' ' A' ' 50' ' ' GLU . 5.2 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.72 0.295 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -126.92 169.88 12.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.435 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -118.95 156.28 29.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -161.58 165.64 35.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.2 m -103.41 139.6 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.478 ' CD1' HG12 ' A' ' 23' ' ' ILE . 7.9 mm -72.4 99.33 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.64 -26.74 68.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.05 157.41 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.064 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.452 ' SD ' HG21 ' A' ' 13' ' ' ILE . 2.3 ptm -156.67 81.55 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -94.73 154.13 17.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -43.14 105.39 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.47 -54.99 0.78 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.569 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -153.44 -172.34 4.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.854 0.359 . . . . 0.0 110.918 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.05 -158.48 8.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CZ ' ' CE2' ' A' ' 20' ' ' PHE . 24.3 m-85 -152.29 151.78 31.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.498 HD11 ' CD1' ' A' ' 34' ' ' PHE . 8.6 mt -137.74 111.93 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -86.26 139.5 30.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.418 ' CB ' ' HB2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -79.67 158.44 27.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.3 t -64.86 -46.29 92.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -101.32 -41.85 6.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.418 ' HB2' ' CB ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -71.41 158.35 36.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.73 42.89 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 m -122.84 146.78 27.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.92 127.96 44.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 32.5 tpp -97.0 86.12 3.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.505 ' CG ' ' O ' ' A' ' 33' ' ' PHE . 2.1 p90 -56.96 121.02 8.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.498 ' CD1' HD11 ' A' ' 23' ' ' ILE . 20.1 p90 -118.76 168.73 10.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -104.01 155.17 18.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -80.65 42.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 m -124.77 -24.17 4.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.831 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -83.84 -9.41 58.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.498 ' O ' HG22 ' A' ' 39' ' ' ILE . 22.5 mt -73.43 0.4 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.69 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.5 pp -52.84 -20.46 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.69 ' N ' HD12 ' A' ' 40' ' ' LEU . 3.3 t0 -50.54 -17.85 0.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . 85.16 90.83 0.83 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.461 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 7.3 m-20 171.28 116.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.767 0.318 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.64 109.91 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.624 HD11 HG11 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -72.02 164.21 26.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -168.26 154.54 7.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 46' ' ' HIS . 30.0 mm -35.12 120.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 44.91 82.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.74 2.92 10.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.632 ' HB3' HG21 ' A' ' 78' ' ' VAL . 4.9 mt-10 54.15 106.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.624 HG11 HD11 ' A' ' 45' ' ' LEU . 33.4 m -125.99 160.15 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.782 ' HB2' HD11 ' A' ' 73' ' ' LEU . 3.0 tt0 -117.86 127.34 53.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.407 ' CB ' ' HB1' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -136.36 161.28 36.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.8 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -179.893 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.749 ' N ' HD21 ' A' ' 65' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.857 0.361 . . . . 0.0 110.865 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -139.36 150.57 45.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.407 ' HB1' ' CB ' ' A' ' 53' ' ' PHE . . . -85.94 129.47 34.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.2 pt -112.82 163.43 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 40.88 64.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.436 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 75.2 mt -69.0 121.21 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.34 129.61 43.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 140.08 46.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.782 HD11 ' HB2' ' A' ' 52' ' ' GLU . 88.6 mt -105.9 144.29 28.6 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.61 0.719 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 168.83 20.37 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.382 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 155.41 39.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.6 55.73 6.5 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 50.5 m -162.77 -52.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.107 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.632 HG21 ' HB3' ' A' ' 50' ' ' GLU . 20.6 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.757 0.313 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -100.34 160.78 14.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.478 ' HE3' HG22 ' A' ' 78' ' ' VAL . 31.0 mtm -140.49 137.53 33.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.57 -157.16 8.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.47 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.4 m -125.51 148.27 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.345 . . . . 0.0 111.146 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.604 HD13 HG12 ' A' ' 23' ' ' ILE . 12.7 mm -85.25 98.09 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.11 -26.0 61.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.512 ' HB1' HH12 ' A' ' 17' ' ' ARG . . . -154.45 146.77 23.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.067 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.429 ' HE1' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -156.81 79.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.512 HH12 ' HB1' ' A' ' 15' ' ' ALA . 12.7 mmp_? -69.54 -172.25 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -78.68 89.07 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.87 -45.99 1.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -137.44 -176.14 4.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.425 ' CA ' ' HA ' ' A' ' 16' ' ' MET . . . -163.63 -147.16 4.97 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.464 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -159.75 152.17 21.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.604 HG12 HD13 ' A' ' 13' ' ' ILE . 40.3 mt -134.12 112.78 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -74.12 115.22 13.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.67 126.72 31.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.4 m -62.58 -32.57 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.162 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -96.26 -44.05 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.3 mtt85 -85.74 151.9 23.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.0 31.72 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.8 123.55 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -62.61 159.77 15.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.3 tpp -111.26 133.59 53.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -87.65 105.68 17.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.552 ' HB2' HD11 ' A' ' 70' ' ' ILE . 24.1 p90 -106.59 159.75 15.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -109.34 154.53 22.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.402 ' HA ' HD12 ' A' ' 39' ' ' ILE . 4.3 m-85 -82.88 39.61 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.3 t -122.83 -31.87 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -80.78 -11.14 59.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.608 ' O ' HG22 ' A' ' 39' ' ' ILE . 51.7 mt -70.62 0.33 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.81 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.5 pp -52.89 -24.77 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.972 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.81 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -45.46 -25.14 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.796 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . 100.97 91.84 2.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.427 ' CG ' ' HB3' ' A' ' 72' ' ' LYS . 7.2 m-20 170.49 113.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.342 . . . . 0.0 110.881 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.12 89.44 3.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.633 HD11 HG21 ' A' ' 70' ' ' ILE . 71.7 mt -54.74 167.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.33 -172.62 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.477 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 48.1 mm -64.81 115.17 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 70.39 58.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.06 119.63 30.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -56.53 145.8 26.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.4 m -152.8 154.37 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.426 ' HB2' HD21 ' A' ' 73' ' ' LEU . 44.9 tt0 -129.58 119.97 24.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.416 ' CE1' HD13 ' A' ' 23' ' ' ILE . 4.7 p90 -138.19 161.64 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 -179.881 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.887 0.375 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.407 ' CE1' HG23 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -134.52 170.57 15.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.72 120.81 39.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 69' ' ' ARG . 6.3 pt -101.26 158.05 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' ILE . 1.0 OUTLIER 34.67 86.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.633 HG21 HD11 ' A' ' 45' ' ' LEU . 53.5 mt -90.95 112.93 25.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -124.24 106.27 10.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.427 ' HB3' ' CG ' ' A' ' 43' ' ' ASN . 14.3 tttt -44.34 148.96 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' A' ' 52' ' ' GLU . 8.1 mt -100.81 146.09 31.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 150.88 68.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.362 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.92 137.86 31.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.72 59.22 2.25 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.508 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 93.7 m -143.52 -47.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.855 0.36 . . . . 0.0 111.14 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.478 HG22 ' HE3' ' A' ' 10' ' ' MET . 3.1 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.789 0.328 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -112.68 161.97 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.481 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -110.68 154.63 23.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.19 160.3 33.92 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.8 m -98.06 144.9 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.654 HD13 HG12 ' A' ' 23' ' ' ILE . 6.4 mm -76.59 122.96 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.27 -34.74 12.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.95 160.05 33.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.2 mtp -155.37 41.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.09 159.38 7.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.32 96.26 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.02 -50.01 0.9 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -147.86 -179.86 7.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.85 -149.89 5.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.417 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 49.7 m-85 -155.85 139.64 16.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 110.922 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.654 HG12 HD13 ' A' ' 13' ' ' ILE . 2.9 mt -120.44 113.93 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -81.17 136.27 35.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.6 m -92.45 139.57 30.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.5 m -65.0 -34.48 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -92.35 -46.18 7.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.82 149.97 26.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -100.42 37.4 1.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.2 m -137.95 174.3 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.417 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 18.0 ptt180 -108.41 166.54 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.83 85.65 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' ' 33' ' ' PHE . 2.8 t80 -47.04 100.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.467 ' CD1' HD11 ' A' ' 23' ' ' ILE . 42.4 p90 -101.25 164.31 11.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -111.46 155.22 23.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -82.4 39.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.26 -30.22 2.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -79.89 -12.12 59.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.625 ' O ' HG22 ' A' ' 39' ' ' ILE . 67.9 mt -70.71 0.4 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.759 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.8 pp -52.89 -21.82 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.759 ' N ' HD12 ' A' ' 40' ' ' LEU . 1.5 t0 -50.51 -28.13 7.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.68 93.38 2.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.434 ' CG ' ' HB2' ' A' ' 72' ' ' LYS . 3.2 m-80 170.76 112.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -76.44 85.38 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.453 HD22 HG11 ' A' ' 51' ' ' VAL . 63.3 mt -38.66 154.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 47' ' ' ILE . 1.5 m-70 -148.15 138.84 23.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.57 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 46.3 mm -35.92 110.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 75.86 71.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.078 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.34 133.35 29.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.08 132.74 48.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.453 HG11 HD22 ' A' ' 45' ' ' LEU . 31.2 m -141.36 154.93 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -117.46 128.31 54.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.692 ' CB ' ' HB1' ' A' ' 67' ' ' ALA . 3.0 p90 -144.6 156.33 44.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.467 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 51.0 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.832 0.349 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.17 146.31 27.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.692 ' HB1' ' CB ' ' A' ' 53' ' ' PHE . . . -90.65 124.89 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.467 ' CG1' ' HB ' ' A' ' 54' ' ' THR . 1.6 pt -106.22 159.01 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.464 ' NE ' HD11 ' A' ' 40' ' ' LEU . 4.7 mmt85 36.0 79.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 79.3 mt -82.84 123.02 38.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.403 ' HB2' ' CG ' ' A' ' 41' ' ' ASP . 12.9 ttpt -136.76 115.24 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.434 ' HB2' ' CG ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -56.61 137.22 54.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.481 ' CD1' ' HG2' ' A' ' 10' ' ' MET . 37.4 mt -90.94 151.03 42.95 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.64 0.733 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 150.63 68.7 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.399 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 139.52 55.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.27 64.16 1.67 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.6 m -156.21 -38.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 111.132 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 179.856 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.757 0.313 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -100.45 149.24 23.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.86 138.17 54.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.83 178.21 36.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 m -98.09 152.58 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.125 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.539 HG21 ' HG2' ' A' ' 16' ' ' MET . 38.5 mm -80.72 121.31 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.11 -20.51 28.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.05 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.57 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -166.7 151.94 7.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.109 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.539 ' HG2' HG21 ' A' ' 13' ' ' ILE . 3.3 mmm -135.13 41.06 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.57 ' NH1' ' HB1' ' A' ' 15' ' ' ALA . 15.8 mmp_? -45.59 148.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.88 97.75 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.23 -33.16 4.45 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -154.39 168.31 27.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.898 0.38 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.58 -147.92 4.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 31' ' ' ARG . 15.0 m-85 -156.61 167.38 30.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.436 HG23 HD13 ' A' ' 13' ' ' ILE . 3.6 mt -147.27 105.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -88.22 109.46 19.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.0 172.64 5.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.2 m -92.54 -38.75 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.167 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.04 -35.3 11.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.407 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -78.55 -42.02 30.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 62.46 42.6 8.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 28' ' ' ARG . 2.0 m -139.15 148.84 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.481 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.0 ptt180 -82.49 125.18 30.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.84 94.76 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -49.62 135.04 19.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.413 ' CD2' HD11 ' A' ' 23' ' ' ILE . 30.1 p90 -153.86 155.19 35.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -95.38 155.19 16.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -81.3 41.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.82 -17.71 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.493 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 0.5 OUTLIER -86.14 -9.46 56.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.559 HG22 ' O ' ' A' ' 39' ' ' ILE . 43.7 mt -74.31 0.4 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.167 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.617 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.4 pp -52.92 -15.91 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.617 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -56.27 -14.72 3.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.5 77.05 0.45 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -144.71 9.76 1.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' ASN . 3.0 mt-30 34.38 82.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.45 HD21 HG21 ' A' ' 70' ' ' ILE . 2.8 mp -61.64 173.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.479 ' CB ' ' OD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -171.95 157.18 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -43.65 135.73 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 52.23 59.49 4.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.479 ' OD2' ' CB ' ' A' ' 46' ' ' HIS . 50.7 m-20 -125.15 120.44 31.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.6 124.88 23.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.422 ' HB ' HG23 ' A' ' 70' ' ' ILE . 34.1 m -131.51 144.87 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -104.49 127.54 52.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.569 ' CB ' ' HB1' ' A' ' 67' ' ' ALA . 12.5 p90 -140.27 157.47 45.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 91.6 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.108 -179.908 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.859 0.362 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.489 ' CE1' ' CG2' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -156.66 164.82 37.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.569 ' HB1' ' CB ' ' A' ' 53' ' ' PHE . . . -96.43 116.6 29.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.489 ' CG2' ' CE1' ' A' ' 66' ' ' HIS . 9.5 pt -103.99 161.67 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' ILE . 3.3 mmt180 34.6 71.58 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.45 HG21 HD21 ' A' ' 45' ' ' LEU . 78.8 mt -71.37 119.46 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -127.01 111.05 13.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.5 156.39 3.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.2 mt -119.71 147.54 44.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.948 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 156.1 64.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 0.0 112.349 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -62.06 122.48 15.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 129.7 -55.07 0.77 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.1 m -46.2 -62.38 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.33 . . . . 0.0 111.12 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.5 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.803 0.335 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -109.77 152.46 25.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.68 158.54 31.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.96 161.21 35.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.7 m -96.38 134.64 33.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.784 0.325 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.65 HD13 HG12 ' A' ' 23' ' ' ILE . 27.5 mm -66.76 121.14 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.37 -39.31 14.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.54 164.5 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.439 ' CE ' ' HB2' ' A' ' 45' ' ' LEU . 85.9 mtp -141.47 45.38 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' MET . 4.8 mmp_? -37.47 148.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -60.96 85.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.49 -28.8 3.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.488 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -157.48 162.84 38.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.953 0.406 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.455 ' C ' ' CE1' ' A' ' 34' ' ' PHE . . . -137.38 179.38 18.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.412 ' C ' HG13 ' A' ' 23' ' ' ILE . 5.7 m-85 -119.06 161.58 20.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.65 HG12 HD13 ' A' ' 13' ' ' ILE . 21.7 mt -140.14 120.51 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.91 123.99 35.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 90.3 m -81.39 145.57 30.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.1 t -82.52 -23.52 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 27' ' ' ASP . 0.8 OUTLIER -105.76 -32.07 8.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -104.56 148.49 26.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.19 41.13 1.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 30' ' ' VAL . 30.4 m -137.62 125.11 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -61.01 161.57 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.9 ttm -134.23 73.61 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -44.16 142.34 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.455 ' CE1' ' C ' ' A' ' 21' ' ' GLY . 26.3 p90 -133.99 170.18 16.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -113.99 154.38 27.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -81.6 41.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.4 -29.48 3.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.63 -11.08 57.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.548 HG22 ' O ' ' A' ' 39' ' ' ILE . 35.4 mt -70.79 0.56 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.763 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.3 pp -52.73 -23.9 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.763 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.4 t70 -43.01 -40.45 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.07 86.8 1.39 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 171.68 134.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.748 0.309 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.07 111.84 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.595 HD11 HG11 ' A' ' 51' ' ' VAL . 3.3 mm? -56.48 -177.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.49 149.68 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 19.4 mm -47.16 115.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 74.51 53.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -119.1 135.94 54.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.6 143.26 33.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.595 HG11 HD11 ' A' ' 45' ' ' LEU . 16.5 m -148.81 142.21 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.751 ' HB2' HD11 ' A' ' 73' ' ' LEU . 1.3 tm-20 -104.6 132.95 50.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.52 150.7 45.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.3 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 -179.88 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.38 177.45 4.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -109.65 120.12 41.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' ARG . 7.3 pt -101.11 161.8 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.16 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER 35.12 70.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 42.7 mt -71.22 109.79 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -117.16 119.35 34.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.43 124.93 25.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.751 HD11 ' HB2' ' A' ' 52' ' ' GLU . 3.5 mt -85.99 152.63 56.47 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 147.67 63.06 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.655 2.237 . . . . 0.0 112.366 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -55.13 124.69 17.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.58 -52.43 0.73 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.4 m -41.15 -48.34 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 111.183 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.865 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.422 ' CZ ' ' OG1' ' A' ' 54' ' ' THR . 14.0 mmt180 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.78 0.324 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -111.2 147.32 35.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.6 156.29 19.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.41 162.23 31.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -98.05 142.64 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.803 0.335 . . . . 0.0 111.134 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.568 HD13 HG12 ' A' ' 23' ' ' ILE . 45.8 mm -74.53 106.25 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.13 -44.9 17.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.66 155.38 33.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.454 ' CG ' HG21 ' A' ' 13' ' ' ILE . 42.2 mtp -148.03 47.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -53.61 176.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -81.96 43.66 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.28 -48.79 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.507 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 22.0 p90 -136.46 -178.79 5.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.918 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.5 -161.89 15.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -138.08 143.42 40.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.568 HG12 HD13 ' A' ' 13' ' ' ILE . 18.4 mt -128.08 88.65 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -56.06 119.77 6.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.72 144.45 37.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.4 m -83.28 -10.69 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -101.29 -46.89 4.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -100.87 163.0 12.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.72 40.93 1.16 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.0 m -143.11 146.62 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -84.35 154.11 23.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.7 tpp -107.07 115.45 30.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.507 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -66.5 112.26 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.42 ' HB2' HD11 ' A' ' 70' ' ' ILE . 17.2 p90 -118.69 152.01 36.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -106.92 155.2 20.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -80.61 42.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.3 -27.51 3.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -80.3 -12.8 59.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.554 HG22 ' O ' ' A' ' 39' ' ' ILE . 40.7 mt -70.7 0.49 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.811 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.0 pp -52.92 -24.71 9.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.811 ' N ' HD12 ' A' ' 40' ' ' LEU . 7.1 m-20 -45.84 -37.57 6.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.88 93.92 2.22 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.504 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 170.2 98.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.48 90.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.609 HD11 HG21 ' A' ' 70' ' ' ILE . 29.9 mt -57.8 155.37 10.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -144.84 156.02 43.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.9 mm -43.73 127.05 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 61.99 59.19 1.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -127.71 137.42 52.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -67.3 139.51 57.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.6 m -143.43 144.41 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.486 ' CG ' HD21 ' A' ' 73' ' ' LEU . 3.7 tt0 -109.05 129.91 55.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 53' ' ' PHE . 2.5 p90 -148.18 150.8 34.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.422 ' OG1' ' CZ ' ' A' ' 8' ' ' ARG . 23.9 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.887 0.375 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -139.08 177.56 7.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.79 122.02 34.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.076 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.6 pt -109.21 160.22 8.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' ILE . 2.1 mmt-85 34.66 81.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.609 HG21 HD11 ' A' ' 45' ' ' LEU . 79.3 mt -76.95 115.09 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.06 114.64 19.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.428 ' NZ ' ' HA ' ' A' ' 45' ' ' LEU . 13.8 tttp -53.87 152.43 5.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.963 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.486 HD21 ' CG ' ' A' ' 52' ' ' GLU . 13.4 mt -111.18 147.48 36.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.624 0.726 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 160.42 49.78 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.266 . . . . 0.0 112.329 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.55 125.97 27.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.13 -45.99 1.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 73.8 m -51.07 -75.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.924 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.5 mtt85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.737 0.304 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -116.39 165.34 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.44 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -128.24 153.24 47.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.02 172.81 38.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.3 m -111.45 138.29 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 111.158 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.449 HD13 HG23 ' A' ' 23' ' ' ILE . 23.7 mm -67.98 142.33 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.11 -25.6 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.98 135.16 47.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.43 ' HE1' ' HB2' ' A' ' 45' ' ' LEU . 48.9 mmm -142.91 51.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.465 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 13.6 mmp_? -46.39 -85.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -160.04 51.76 0.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.505 ' HA2' ' CG ' ' A' ' 36' ' ' PHE . . . 139.28 -41.93 1.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.494 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -123.2 163.84 19.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -175.5 -125.68 0.89 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.507 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -157.74 169.22 25.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.496 HD11 ' CD1' ' A' ' 34' ' ' PHE . 3.3 mt -147.83 96.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.71 109.33 2.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 t -70.31 153.23 43.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.6 m -85.67 -30.08 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -83.69 -43.0 15.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.7 164.52 12.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.93 38.34 2.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.6 m -138.43 176.74 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.2 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -101.56 149.56 23.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -115.66 73.82 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 32' ' ' MET . 1.5 t80 -37.07 149.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.496 ' CD1' HD11 ' A' ' 23' ' ' ILE . 5.9 p90 -153.36 159.68 42.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -106.66 155.39 19.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.505 ' CG ' ' HA2' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -82.81 37.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.35 -17.87 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -92.8 -12.67 30.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.591 ' O ' HG22 ' A' ' 39' ' ' ILE . 55.5 mt -70.71 0.49 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.788 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.0 pp -52.85 -20.76 3.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.788 ' N ' HD12 ' A' ' 40' ' ' LEU . 8.4 t70 -44.96 -27.66 0.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.58 82.92 1.66 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 171.58 122.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -76.1 127.9 33.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.512 HD11 HG11 ' A' ' 51' ' ' VAL . 1.6 mm? -81.8 165.39 20.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.474 ' N ' ' OD2' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -167.44 147.37 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.876 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.63 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 44.3 mm -41.28 116.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 79.43 51.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.474 ' OD2' ' N ' ' A' ' 46' ' ' HIS . 1.8 m-20 -117.07 130.43 56.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.19 135.32 36.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.512 HG11 HD11 ' A' ' 45' ' ' LEU . 34.6 m -139.85 169.39 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.523 ' HB2' HD21 ' A' ' 73' ' ' LEU . 3.1 tt0 -132.64 127.11 34.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -138.51 150.24 46.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.7 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 -179.883 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.855 0.36 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.584 ' CE1' HG23 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -112.93 147.4 37.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.95 124.57 33.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.584 HG23 ' CE1' ' A' ' 66' ' ' HIS . 1.6 pt -110.27 161.56 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' ILE . 28.4 mmt85 34.43 77.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 69.2 mt -77.69 126.25 37.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -131.12 122.91 27.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.23 133.33 46.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 52' ' ' GLU . 11.9 mt -94.47 149.22 36.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.742 . . . . 0.0 110.931 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 154.03 68.27 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.752 2.301 . . . . 0.0 112.32 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 111.82 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.89 -44.1 1.03 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.444 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.8 m -58.9 -52.15 66.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 111.15 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.898 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.845 0.355 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -108.54 157.81 18.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.484 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 1.7 ptt? -149.15 150.14 32.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -148.72 -144.2 3.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -131.22 136.06 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 111.135 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.7 mm -66.22 114.56 3.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.56 -27.51 17.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.43 165.12 27.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.067 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.1 mtp -153.57 34.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.6 156.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.85 94.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.73 -47.4 1.02 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -155.03 -175.67 5.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.31 -132.68 1.36 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.462 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.592 ' CZ ' ' CZ ' ' A' ' 33' ' ' PHE . 8.9 m-85 -154.06 157.07 38.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 mt -136.0 106.7 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.5 112.27 17.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.53 156.12 31.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.81 -50.52 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -39.02 61.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -97.28 146.3 25.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -106.36 40.83 1.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.95 132.33 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.5 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 23.2 mtt180 -67.65 135.4 52.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.09 111.07 23.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.592 ' CZ ' ' CZ ' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -69.83 123.38 21.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.853 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -128.69 160.61 31.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -108.01 155.2 20.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.33 36.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.1 m -120.42 -28.14 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -80.28 -14.07 58.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.542 HG22 ' O ' ' A' ' 39' ' ' ILE . 34.8 mt -70.79 0.47 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.816 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.2 pp -52.8 -26.07 13.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.816 ' N ' HD12 ' A' ' 40' ' ' LEU . 3.6 m-20 -40.86 -29.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.15 90.43 2.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 170.03 105.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.727 0.298 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -64.79 95.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 mt -59.54 156.88 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -141.47 170.44 15.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.586 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 5.5 mm -62.1 116.21 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 76.73 58.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.36 150.42 45.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -81.14 131.96 35.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.484 ' O ' ' CB ' ' A' ' 10' ' ' MET . 0.8 OUTLIER -138.78 142.32 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.153 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.647 ' HB2' HD11 ' A' ' 73' ' ' LEU . 10.6 tt0 -118.03 128.53 54.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.476 ' CG ' ' HB1' ' A' ' 67' ' ' ALA . 5.5 p90 -148.23 155.22 41.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 -179.914 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.97 145.42 35.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.476 ' HB1' ' CG ' ' A' ' 53' ' ' PHE . . . -89.61 119.27 29.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.8 pt -99.46 155.68 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER 34.77 84.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.2 mt -84.17 113.67 23.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.68 115.35 23.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.92 139.63 33.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.647 HD11 ' HB2' ' A' ' 52' ' ' GLU . 10.5 mt -97.39 148.87 35.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.613 0.72 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.38 65.11 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -48.25 149.52 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.72 65.82 2.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.5 m -150.47 -48.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.841 0.353 . . . . 0.0 111.099 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.131 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.788 0.328 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -112.41 152.04 29.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -112.29 156.47 22.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.92 160.95 34.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.495 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.0 m -96.64 145.48 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 111.177 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.44 ' CD1' HG12 ' A' ' 23' ' ' ILE . 19.6 mm -69.94 122.88 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.16 -28.68 14.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.56 158.53 41.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.435 ' SD ' HG21 ' A' ' 13' ' ' ILE . 56.5 mmm -144.67 83.83 1.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' HD3' ' N ' ' A' ' 17' ' ' ARG . 0.7 OUTLIER -97.75 150.21 21.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -61.22 94.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.14 -34.8 2.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -159.99 177.98 10.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.849 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.21 -163.34 12.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.518 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 6.4 m-85 -145.68 145.64 30.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.474 HD11 ' CD2' ' A' ' 34' ' ' PHE . 6.3 mt -135.64 96.89 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -63.39 122.53 16.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.17 129.32 39.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 p -58.94 -37.8 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -94.3 -42.14 9.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -86.6 178.63 7.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -122.6 47.7 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.9 m -140.02 146.5 24.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.518 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 4.0 mtt-85 -81.85 150.29 27.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.491 ' CE ' ' O ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -112.35 81.12 1.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -41.79 116.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.474 ' CD2' HD11 ' A' ' 23' ' ' ILE . 25.6 p90 -124.86 161.84 25.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -113.12 155.24 25.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -80.54 43.04 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.4 m -128.44 -29.94 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.512 ' OE2' HG22 ' A' ' 68' ' ' ILE . 5.0 mm-40 -81.39 -16.52 51.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 39' ' ' ILE . 42.6 mt -70.24 0.42 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.76 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.4 pp -52.63 -25.24 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.76 ' N ' HD12 ' A' ' 40' ' ' LEU . 1.3 m-20 -42.91 -29.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.76 89.56 2.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 m120 169.51 121.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -82.3 118.08 22.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.4 mp -76.06 172.04 13.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -175.16 156.36 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' HIS . 33.2 mm -37.31 118.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 62.71 70.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.44 ' CG ' ' HE3' ' A' ' 72' ' ' LYS . 19.7 m-20 -132.13 128.07 37.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -69.06 131.46 45.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.8 m -140.66 135.87 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.772 ' HB2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -104.55 129.35 52.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.455 ' CB ' ' HB1' ' A' ' 67' ' ' ALA . 1.5 p90 -136.41 154.32 50.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.5 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.119 -179.896 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.491 ' O ' ' CE ' ' A' ' 32' ' ' MET . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.798 0.332 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.46 159.7 15.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.455 ' HB1' ' CB ' ' A' ' 53' ' ' PHE . . . -97.69 113.13 24.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.512 HG22 ' OE2' ' A' ' 38' ' ' GLU . 6.2 pt -91.8 160.31 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' ILE . 50.3 mtm-85 34.34 77.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.9 mt -84.85 118.93 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -133.18 122.91 24.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.44 ' HE3' ' CG ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -56.62 150.77 14.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.772 HD21 ' HB2' ' A' ' 52' ' ' GLU . 3.5 mt -103.0 148.16 35.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.954 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 150.34 68.52 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.369 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.09 141.03 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.65 60.53 1.97 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.4 m -152.58 -46.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 0.0 111.149 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.5 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 179.905 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.724 0.297 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -98.77 154.97 17.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.42 ' HB3' HG21 ' A' ' 78' ' ' VAL . 0.6 OUTLIER -125.27 158.37 34.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.65 -168.93 29.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.451 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 m -126.59 126.89 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.446 HD13 HG12 ' A' ' 23' ' ' ILE . 35.0 mm -59.28 136.85 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -112.75 -27.12 8.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.89 154.72 42.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.0 mmm -147.05 37.69 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.44 161.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -64.21 96.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.91 -46.26 1.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -147.32 -177.89 5.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.376 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.83 -137.15 2.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CD1' ' HG3' ' A' ' 31' ' ' ARG . 29.0 m-85 -160.51 152.62 20.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.446 HG12 HD13 ' A' ' 13' ' ' ILE . 13.9 mt -135.09 100.33 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.171 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -78.51 119.83 22.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -72.34 168.57 18.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.0 t -85.45 -40.32 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.42 -34.44 14.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -94.73 130.26 41.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -89.36 40.36 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 30' ' ' VAL . 17.2 m -141.59 125.05 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.559 ' HG3' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -64.49 157.96 25.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 47.8 tpp -112.82 110.48 20.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.35 109.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -118.64 166.09 13.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -111.58 154.95 24.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -80.91 42.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.5 -14.87 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.45 ' HB3' ' N ' ' A' ' 69' ' ' ARG . 2.2 mm-40 -90.54 -13.79 33.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 39' ' ' ILE . 22.5 mt -72.6 0.46 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.698 HD12 ' N ' ' A' ' 41' ' ' ASP . 1.5 pp -52.85 -15.94 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.698 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -50.9 -30.07 13.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.02 89.65 2.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 171.72 130.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -79.09 73.3 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.659 ' CD1' HG21 ' A' ' 70' ' ' ILE . 6.1 mt -53.06 175.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.55 -175.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' ALA . 35.7 mm -44.4 127.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ILE . . . 35.44 88.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -133.21 13.73 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 54.68 107.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.469 HG11 HD13 ' A' ' 45' ' ' LEU . 1.5 m -128.44 152.34 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.652 ' HB2' HD21 ' A' ' 73' ' ' LEU . 10.1 tt0 -119.5 116.69 26.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 53' ' ' PHE . 2.4 p90 -127.43 161.15 29.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.889 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.41 138.6 21.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.42 124.34 32.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.4 pp -119.83 165.53 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.45 ' N ' ' HB3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER 34.93 73.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.659 HG21 ' CD1' ' A' ' 45' ' ' LEU . 48.1 mt -69.14 126.7 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -127.34 119.07 25.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.28 145.42 55.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.652 HD21 ' HB2' ' A' ' 52' ' ' GLU . 6.1 mt -114.56 148.06 39.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.588 0.708 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.16 64.66 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.91 142.29 46.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.68 -36.78 4.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.8 m -55.91 -66.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.859 0.362 . . . . 0.0 111.151 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.42 HG21 ' HB3' ' A' ' 10' ' ' MET . 15.9 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -110.96 157.75 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -120.02 158.51 26.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.33 175.35 40.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 m -118.16 121.31 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 111.154 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.468 ' CD1' HG12 ' A' ' 23' ' ' ILE . 16.4 mm -48.51 119.4 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.52 -27.03 21.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.428 ' O ' ' CG2' ' A' ' 13' ' ' ILE . . . -146.63 166.77 25.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.44 ' HG3' HD13 ' A' ' 47' ' ' ILE . 29.3 mtp -154.33 53.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.427 ' CZ ' ' H ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -72.42 157.8 36.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.34 106.61 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.65 -43.34 1.36 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.54 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -152.52 -174.65 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.932 0.396 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.549 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -157.42 -161.43 10.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.478 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 21' ' ' GLY . 19.9 m-85 -151.67 153.93 35.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 13' ' ' ILE . 14.9 mt -134.31 120.14 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.92 108.12 19.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.08 149.85 8.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.79 -18.19 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.94 -42.29 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -79.04 -179.49 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -124.3 5.68 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.55 147.69 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 -76.74 162.42 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.8 ttm -122.49 101.49 7.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -54.17 136.57 42.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -145.79 149.31 34.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.12 155.19 18.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.468 ' CD1' HD12 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -83.83 35.61 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.47 -21.35 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -80.38 -3.54 50.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.576 HG22 ' O ' ' A' ' 39' ' ' ILE . 46.2 mt -77.05 0.33 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.635 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.6 pp -52.86 -19.26 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.635 ' N ' HD12 ' A' ' 40' ' ' LEU . 1.2 t0 -51.38 -19.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.87 80.98 1.5 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 172.68 107.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.774 0.321 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -69.52 95.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.505 HD11 HG21 ' A' ' 70' ' ' ILE . 45.2 mt -45.07 158.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -150.69 157.13 42.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.44 HD13 ' HG3' ' A' ' 16' ' ' MET . 34.8 mm -50.16 123.76 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 59.88 63.59 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.069 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.94 125.38 33.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -55.99 142.81 34.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -147.63 144.42 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.488 ' HB2' HD21 ' A' ' 73' ' ' LEU . 3.0 tt0 -115.62 128.98 56.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.44 ' HE2' HG21 ' A' ' 23' ' ' ILE . 1.2 p90 -140.81 149.43 42.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.4 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 -179.927 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.836 0.35 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -141.04 173.36 11.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.72 113.45 26.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' ARG . 4.8 pt -105.46 169.16 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' ILE . 23.0 mmt180 36.28 60.42 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.505 HG21 HD11 ' A' ' 45' ' ' LEU . 64.7 mt -67.02 117.58 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -126.57 129.61 48.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 146.38 54.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' A' ' 52' ' ' GLU . 79.0 mt -106.45 147.12 34.36 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 159.83 52.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.24 132.45 46.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.74 -49.59 0.84 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.9 m -47.21 -67.97 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.846 0.355 . . . . 0.0 111.144 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.885 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.97 -55.7 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.373 . . . . 0.0 110.888 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -112.97 153.04 28.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.34 121.5 6.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -116.56 114.45 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 p -125.69 155.94 40.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.47 75.49 1.3 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 -114.74 138.96 50.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.733 0.301 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -110.8 148.78 31.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.458 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -113.54 153.3 29.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.86 163.55 35.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.2 m -99.0 140.4 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.552 HD13 HG12 ' A' ' 23' ' ' ILE . 23.6 mm -69.39 123.83 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.69 -18.17 17.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.96 149.77 16.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.52 ' HG2' HG21 ' A' ' 13' ' ' ILE . 37.0 mmm -136.09 41.05 2.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' MET . 4.7 mmp_? -37.53 150.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -61.23 90.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.3 -26.6 4.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -153.53 -166.15 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.924 0.393 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -173.81 -153.24 9.57 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -155.17 149.13 25.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.576 HG21 ' HE2' ' A' ' 53' ' ' PHE . 14.9 mt -129.91 99.26 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -71.08 111.44 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.88 155.36 36.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.543 HG12 ' CD2' ' A' ' 80' ' ' PHE . 10.5 m -79.69 -29.81 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -95.69 -41.12 9.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -92.32 149.4 21.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -101.18 39.86 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 m -141.4 146.61 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -77.61 162.61 26.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.9 tpp -121.44 86.78 2.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -41.25 122.66 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -129.36 161.17 30.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -110.53 155.15 22.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -80.77 42.71 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.3 -25.66 3.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.4 -14.84 42.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.619 ' O ' HG22 ' A' ' 39' ' ' ILE . 72.1 mt -72.03 0.41 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.759 HD12 ' N ' ' A' ' 41' ' ' ASP . 1.8 pp -53.1 -17.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.759 ' N ' HD12 ' A' ' 40' ' ' LEU . 15.1 t70 -44.14 -37.88 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.449 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . 113.63 82.95 1.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.448 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 11.0 m-20 172.29 118.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -77.27 84.51 3.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.419 HD11 HG21 ' A' ' 70' ' ' ILE . 82.9 mt -45.42 168.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.1 167.58 22.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.597 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 49.7 mm -51.36 113.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 78.2 53.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.064 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -122.17 119.34 30.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.88 139.39 58.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.0 m -143.42 158.17 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -120.83 131.62 54.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.576 ' HE2' HG21 ' A' ' 23' ' ' ILE . 1.6 p90 -145.52 143.88 30.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 99.0 m -72.97 -44.8 60.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.622 ' O ' HG13 ' A' ' 56' ' ' VAL . 73.1 t 60.07 144.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.622 HG13 ' O ' ' A' ' 55' ' ' VAL . 15.8 m -161.88 144.46 8.89 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.64 0.733 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.402 ' C ' ' OD1' ' A' ' 58' ' ' ASP . 53.6 Cg_endo -69.78 2.55 3.45 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.242 . . . . 0.0 112.356 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER 70.49 168.63 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.38 -50.95 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -58.44 6.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 62' ' ' ALA . 6.0 m -70.9 -8.32 52.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' SER . . . 35.34 34.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.061 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -170.88 172.49 5.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 61.12 141.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.43 124.49 42.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.19 148.07 43.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.67 114.59 24.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -94.36 160.02 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' ILE . 10.1 mmt180 34.58 80.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.419 HG21 HD11 ' A' ' 45' ' ' LEU . 74.7 mt -81.39 117.67 27.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -120.42 116.82 26.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -65.86 123.83 20.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.458 ' CD1' ' HG2' ' A' ' 10' ' ' MET . 63.8 mt -86.41 144.06 37.42 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.62 0.724 . . . . 0.0 110.977 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 168.67 20.83 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -75.29 116.83 16.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.43 -44.91 1.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.4 m -59.84 -59.58 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 111.128 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 t -88.06 160.86 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.42 131.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.814 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.543 ' CD2' HG12 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -166.77 143.97 4.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -74.93 131.42 40.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.9 157.74 43.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.37 162.12 15.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 67.1 m -119.51 153.05 35.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -122.57 83.39 0.36 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 105.77 1.55 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' SER . 66.7 p -177.6 94.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 87' ' ' SER . 1.1 m -34.61 139.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -132.8 -45.1 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.384 . . . . 0.0 110.88 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.4 m -75.41 148.42 39.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.97 133.96 5.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 t -131.46 144.62 51.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.847 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 t -140.99 -38.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.46 106.58 0.71 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.2 120.74 40.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -101.96 156.49 17.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.53 158.06 33.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.63 168.98 39.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.3 m -107.49 141.38 22.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.718 HD13 HG12 ' A' ' 23' ' ' ILE . 29.4 mm -76.17 89.71 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.81 -26.37 67.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.419 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -161.57 151.84 17.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -154.02 63.39 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.429 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 16.2 mmp_? -60.61 179.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.85 86.63 5.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.59 -31.27 2.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -155.5 -175.32 5.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.432 ' HA3' ' CZ ' ' A' ' 34' ' ' PHE . . . -163.05 -163.54 15.94 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.504 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -155.72 146.85 22.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.718 HG12 HD13 ' A' ' 13' ' ' ILE . 4.2 mt -132.2 104.56 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -58.99 111.58 1.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.0 m -77.98 122.21 25.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.549 HG22 ' CE2' ' A' ' 80' ' ' PHE . 17.2 t -63.4 -31.46 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.86 -43.62 44.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -97.68 179.75 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -101.72 -15.88 16.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 m -107.39 152.11 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 -68.36 -171.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.588 ' HE3' HG13 ' A' ' 55' ' ' VAL . 35.6 tpp -135.55 97.52 3.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -47.31 131.02 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.462 ' CD2' HD11 ' A' ' 23' ' ' ILE . 17.0 p90 -136.05 146.45 47.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -97.2 155.18 16.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -80.66 42.82 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.0 m -125.34 -25.74 3.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -82.73 -13.04 57.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.563 ' O ' HG22 ' A' ' 39' ' ' ILE . 47.2 mt -70.74 0.32 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.711 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.6 pp -52.96 -23.22 6.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.711 ' N ' HD12 ' A' ' 40' ' ' LEU . 3.3 t0 -43.15 -31.53 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.71 82.11 1.52 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.1 m120 171.17 117.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.321 . . . . 0.0 110.912 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -76.38 101.65 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.9 mt -52.16 159.67 0.89 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.62 150.89 40.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.588 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 45.8 mm -48.23 107.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 76.66 63.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.11 135.74 47.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.465 ' HG2' ' CG1' ' A' ' 78' ' ' VAL . 2.0 mt-10 -62.7 138.13 58.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.9 m -138.37 156.7 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.162 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.785 ' HB2' HD21 ' A' ' 73' ' ' LEU . 7.4 tt0 -118.37 128.78 54.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.681 ' HE2' HG21 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -147.87 156.36 42.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.8 m -70.97 -57.71 4.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.176 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.588 HG13 ' HE3' ' A' ' 32' ' ' MET . 25.3 t 55.23 96.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.01 153.16 37.92 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.647 0.737 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 112.5 3.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.266 . . . . 0.0 112.303 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -102.61 165.24 11.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -85.07 0.64 50.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 mt -42.4 -31.06 0.38 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.592 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 8.2 m 65.97 160.56 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 61' ' ' SER . . . 77.6 -56.98 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -95.6 -174.31 3.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.88 -159.39 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -49.21 144.41 5.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.28 147.47 50.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.33 118.45 29.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 69' ' ' ARG . 3.0 pt -109.64 160.01 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' ILE . 26.2 mmm-85 36.27 77.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.458 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 89.3 mt -75.45 125.24 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -126.83 113.81 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -63.52 125.05 22.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.785 HD21 ' HB2' ' A' ' 52' ' ' GLU . 1.5 mt -99.88 149.81 36.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 159.94 51.54 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.619 2.212 . . . . 0.0 112.375 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.07 118.85 14.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 135.3 -20.26 3.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 54.7 m -71.45 -77.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 111.171 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.592 HG22 ' N ' ' A' ' 79' ' ' SER . 14.6 p -93.7 165.05 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.592 ' N ' HG22 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -178.56 171.21 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.549 ' CE2' HG22 ' A' ' 26' ' ' VAL . 7.6 m-85 -114.68 36.29 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 55.73 82.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.7 119.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -86.52 122.63 30.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.37 169.25 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -156.29 146.43 13.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 149.8 67.09 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.8 p -168.16 107.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 t -173.36 -51.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.9 p -167.0 146.1 5.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.819 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -162.0 165.93 26.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.58 55.4 0.57 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -142.43 84.24 1.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.77 93.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.846 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.57 65.88 0.54 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -94.64 139.74 30.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -124.11 150.69 44.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.448 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.88 156.9 24.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.919 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.38 -175.45 33.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.676 HG21 ' CZ ' ' A' ' 80' ' ' PHE . 5.4 m -121.95 128.16 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.17 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.401 ' CD1' HG12 ' A' ' 23' ' ' ILE . 8.1 mm -61.25 85.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.22 -18.64 64.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.45 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -167.07 149.55 6.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.28 57.77 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.45 ' NH1' ' HB1' ' A' ' 15' ' ' ALA . 14.7 mmp_? -55.18 169.43 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.24 90.05 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.12 -36.63 2.07 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.442 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -153.18 -177.62 6.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.929 0.395 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.67 -170.34 33.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.519 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -139.78 159.0 43.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.479 HD11 ' CD1' ' A' ' 34' ' ' PHE . 7.7 mt -140.68 107.47 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -79.36 120.81 24.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.04 149.72 36.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.0 m -71.4 -40.65 73.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.42 -44.77 12.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.6 172.41 8.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.84 24.85 11.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.2 m -99.06 155.32 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.85 139.3 36.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.9 ttm -107.85 86.37 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -48.34 131.57 16.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.479 ' CD1' HD11 ' A' ' 23' ' ' ILE . 42.5 p90 -135.91 164.5 27.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -109.78 155.24 21.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -80.81 42.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.9 -24.41 4.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -85.3 -11.14 55.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 39' ' ' ILE . 57.4 mt -71.61 0.43 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.807 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.7 pp -52.97 -23.68 7.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.807 ' N ' HD12 ' A' ' 40' ' ' LEU . 2.4 t0 -44.39 -37.89 3.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.0 90.08 2.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 171.13 114.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -70.17 92.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.8 mt -55.07 160.65 1.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -155.83 167.18 31.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.667 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 46.1 mm -56.64 111.54 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 83.34 49.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -111.15 134.24 52.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.662 ' HB3' HG21 ' A' ' 78' ' ' VAL . 2.5 mt-10 -85.78 117.85 24.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.4 m -127.69 165.1 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.43 ' HB2' HD21 ' A' ' 73' ' ' LEU . 6.0 tt0 -122.09 131.99 54.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -145.62 158.92 43.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 95.4 m -91.05 120.89 32.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.117 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.723 HG13 ' HB2' ' A' ' 65' ' ' ASN . 86.5 t -111.14 119.75 60.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 m -137.38 144.29 44.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 127.7 15.0 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.23 157.23 31.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -78.59 -46.63 18.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 59' ' ' MET . 8.1 mt -37.15 -55.36 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.4 p -175.62 40.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . 60.14 35.53 21.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -45.56 162.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -47.58 97.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.723 ' HB2' HG13 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -34.44 147.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.11 160.22 19.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.62 135.82 48.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 69' ' ' ARG . 8.0 pt -124.62 157.97 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 68' ' ' ILE . 7.5 mmt85 37.22 81.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.0 mt -78.87 114.44 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.6 125.54 45.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -65.68 148.43 51.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.448 ' CD1' ' HG2' ' A' ' 10' ' ' MET . 15.8 mt -107.39 146.86 34.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.552 0.691 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 149.57 67.08 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.234 . . . . 0.0 112.363 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 147.99 20.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.08 53.51 3.12 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 52.7 m -165.06 -65.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 111.153 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.662 HG21 ' HB3' ' A' ' 50' ' ' GLU . 2.9 t -72.56 153.5 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -158.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.676 ' CZ ' HG21 ' A' ' 12' ' ' VAL . 57.3 m-85 61.61 134.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.93 165.74 23.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 66.2 m -105.67 -43.72 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -100.27 152.28 20.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 t 67.25 37.15 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -90.44 -158.02 34.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.475 ' O ' ' CB ' ' A' ' 87' ' ' SER . 53.6 Cg_endo -69.75 2.69 3.3 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 86' ' ' PRO . 1.1 t 81.25 -56.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.01 121.16 5.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -125.84 99.79 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.51 105.35 10.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.21 103.27 2.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.35 -53.23 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.359 . . . . 0.0 110.85 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -105.89 -56.14 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.45 145.34 4.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -115.41 114.9 25.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 0.0 110.817 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.453 ' O ' ' CE1' ' A' ' 53' ' ' PHE . 3.5 mm-40 -104.14 148.5 26.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.552 ' HB3' HG21 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -104.36 152.27 22.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.35 156.27 26.85 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.511 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 m -97.72 138.96 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.8 mm -66.79 133.02 31.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.26 -20.84 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.445 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -153.8 168.65 25.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.8 mtp -159.78 44.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' NH1' ' HB1' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -56.12 164.75 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.02 89.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.68 -37.89 1.68 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -157.65 -166.67 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.66 -162.77 21.45 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.441 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CE1' ' HD2' ' A' ' 31' ' ' ARG . 15.2 m-85 -139.94 155.44 47.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.4 mt -140.87 111.33 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -88.89 100.84 13.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.1 m -65.82 169.86 6.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.501 HG22 ' CD1' ' A' ' 80' ' ' PHE . 66.0 t -81.65 -53.02 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -34.4 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -101.02 130.27 47.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.02 34.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.6 163.51 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 14.2 ptt180 -90.1 141.57 28.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.0 tpp -105.77 93.27 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -51.25 113.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -119.97 157.65 28.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -105.78 155.01 19.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -81.72 41.16 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -122.89 -21.87 5.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' N ' ' OE1' ' A' ' 38' ' ' GLU . 0.4 OUTLIER -88.63 -10.9 47.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.519 ' O ' HG22 ' A' ' 39' ' ' ILE . 16.4 mt -71.14 0.36 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.708 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.2 pp -52.89 -20.73 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.708 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -41.32 -38.49 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.59 82.36 1.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 173.12 149.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.764 0.316 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.96 106.32 17.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.33 170.29 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -170.01 146.45 3.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.471 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 12.8 mm -34.12 116.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 70.21 62.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.434 ' OD2' ' CE ' ' A' ' 72' ' ' LYS . 2.4 m-20 -123.98 131.42 53.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -68.63 131.46 45.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.8 m -141.25 141.23 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' HB2' HD11 ' A' ' 73' ' ' LEU . 15.6 tt0 -110.83 128.48 55.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.453 ' CE1' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -136.14 154.12 51.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 47.2 m -77.33 -54.43 6.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.584 ' O ' HG13 ' A' ' 56' ' ' VAL . 98.1 t 63.81 130.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.178 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 55' ' ' VAL . 3.0 m -160.2 148.67 13.42 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.609 0.718 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 105.63 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.42 ' OD1' HG23 ' A' ' 56' ' ' VAL . 1.6 m-20 -132.86 165.37 24.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.1 38.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.7 mt -97.18 -53.84 3.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.566 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 2.8 m -96.67 34.9 1.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 61' ' ' SER . . . 76.32 -64.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.067 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 175.9 40.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.964 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -126.1 19.15 7.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 58.05 163.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.88 174.9 10.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.81 135.63 53.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.2 pt -124.59 154.02 31.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 68' ' ' ILE . 1.9 mmm180 36.88 69.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 40.6 mt -68.42 110.06 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.24 108.71 20.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.434 ' CE ' ' OD2' ' A' ' 49' ' ' ASP . 11.7 tttm -66.65 108.9 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 52' ' ' GLU . 14.9 mt -73.15 143.81 83.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.583 0.706 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 147.91 64.19 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.66 2.24 . . . . 0.0 112.391 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -48.25 138.93 9.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.89 61.24 1.61 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.412 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.4 m -148.4 -50.77 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.372 . . . . 0.0 111.119 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.552 HG21 ' HB3' ' A' ' 10' ' ' MET . 25.7 t -113.56 148.88 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.31 146.97 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.501 ' CD1' HG22 ' A' ' 26' ' ' VAL . 3.3 p90 -169.97 -49.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -83.71 111.34 19.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.15 127.5 14.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.62 138.63 58.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.58 44.01 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -135.85 83.44 0.27 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -173.72 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.76 127.84 53.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -118.41 -45.65 2.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.9 80.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -120.11 122.79 41.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.0 -64.42 0.42 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -128.12 93.53 3.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -131.44 141.04 49.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.96 78.29 0.3 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.445 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -107.08 128.2 54.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.838 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -118.82 149.53 41.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -113.4 151.39 31.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.38 170.84 38.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.4 m -105.07 143.79 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 111.161 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mm -72.02 114.84 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.65 -28.97 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.38 155.27 38.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.5 mmm -146.75 37.1 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.42 ' HE ' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -50.83 163.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.6 105.55 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.06 -27.69 6.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -175.01 171.56 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 0.0 110.848 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.96 -152.2 5.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.422 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 16.8 m-85 -148.28 148.7 30.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.534 HG21 ' HE2' ' A' ' 53' ' ' PHE . 6.8 mt -132.03 91.69 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.04 110.31 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -73.87 149.54 41.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.629 HG12 ' CE2' ' A' ' 80' ' ' PHE . 34.9 m -90.29 -12.74 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.117 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.82 -42.03 8.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -96.53 -177.55 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -105.0 -7.55 19.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.6 m -109.0 170.18 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.422 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -100.01 171.31 7.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.421 ' O ' HD12 ' A' ' 23' ' ' ILE . 39.2 tpp -123.44 98.35 5.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -65.97 129.23 39.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.527 ' CD1' HD11 ' A' ' 23' ' ' ILE . 5.4 p90 -116.36 170.58 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -108.81 155.18 21.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -82.05 42.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.5 m -127.79 -30.33 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -81.57 -13.74 57.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.588 ' O ' HG22 ' A' ' 39' ' ' ILE . 52.3 mt -71.41 0.42 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.789 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.5 pp -52.97 -21.88 4.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.789 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -41.66 -39.91 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.794 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.49 83.06 1.31 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.529 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 176.34 115.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -67.7 92.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.469 HD11 HG21 ' A' ' 70' ' ' ILE . 68.4 mt -56.23 160.79 2.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -156.09 168.27 27.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.0 mm -55.09 141.32 11.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.51 48.8 19.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -112.35 140.61 46.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -86.3 135.38 33.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 28.9 m -149.42 152.45 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.117 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.872 ' HB2' HD21 ' A' ' 73' ' ' LEU . 4.2 tt0 -118.28 133.36 55.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.534 ' HE2' HG21 ' A' ' 23' ' ' ILE . 13.1 p90 -146.69 157.76 43.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.5 m -90.43 138.35 31.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.68 HG13 ' CB ' ' A' ' 65' ' ' ASN . 95.2 t -110.4 121.05 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.9 m -142.7 144.31 29.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.637 0.732 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 58' ' ' ASP . 53.1 Cg_endo -69.77 107.9 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.298 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' PRO . 13.5 m-20 -37.31 145.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -5.57 39.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -104.88 -40.94 5.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.2 p -130.17 106.05 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -42.63 -41.29 3.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -83.73 160.57 21.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 73.49 130.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.68 ' CB ' HG13 ' A' ' 55' ' ' VAL . 58.8 m-80 -127.55 155.91 43.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.5 ' CE1' HG23 ' A' ' 68' ' ' ILE . 0.1 OUTLIER -120.03 157.07 29.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HB1' ' CB ' ' A' ' 53' ' ' PHE . . . -98.28 116.44 30.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.5 HG23 ' CE1' ' A' ' 66' ' ' HIS . 5.4 pt -96.9 155.62 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' ILE . 2.4 mmm180 34.81 83.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.469 HG21 HD11 ' A' ' 45' ' ' LEU . 96.2 mt -81.01 117.49 27.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -119.55 146.01 45.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.71 123.43 29.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.872 HD21 ' HB2' ' A' ' 52' ' ' GLU . 10.8 mt -80.02 148.79 68.82 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 168.16 22.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 145.95 50.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.9 49.03 30.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 42.6 m -125.99 -48.12 1.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.6 t -102.61 155.01 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.28 170.38 11.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.629 ' CE2' HG12 ' A' ' 26' ' ' VAL . 25.1 m-85 -121.38 126.07 48.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.0 -52.44 2.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.17 122.27 31.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -111.84 112.04 23.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.0 p -129.1 142.08 51.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.81 171.77 42.95 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.512 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 88.66 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.324 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.58 133.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.6 m -52.78 130.06 31.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.808 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.5 t -155.4 86.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -104.7 167.53 9.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.54 81.22 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -145.34 101.55 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.04 108.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.97 119.88 5.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -102.15 129.41 48.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.803 0.335 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.1 153.9 19.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.0 mtm -151.23 137.07 18.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.8 -152.11 6.32 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.8 m -122.04 147.73 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.764 0.316 . . . . 0.0 111.122 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.702 HD13 HG12 ' A' ' 23' ' ' ILE . 29.5 mm -79.29 123.23 35.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.45 -43.11 12.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.97 163.26 35.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 mmm -139.47 39.05 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 6.8 mmp_? -39.87 148.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.07 90.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.02 -28.05 3.38 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 17' ' ' ARG . 2.7 p90 -159.02 170.46 22.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.383 . . . . 0.0 110.911 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.37 -157.99 7.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -153.32 148.32 26.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.702 HG12 HD13 ' A' ' 13' ' ' ILE . 9.4 mt -133.9 108.34 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -81.71 121.53 26.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.96 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.2 t -93.06 142.17 27.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.608 HG22 ' CE2' ' A' ' 80' ' ' PHE . 96.2 t -68.4 -42.66 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.05 -42.85 31.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -98.0 124.17 42.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -82.76 43.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.7 m -141.74 141.4 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -79.3 153.39 29.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.6 tpp -117.6 91.65 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 33' ' ' PHE . 1.9 p90 -58.42 120.14 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -115.27 170.06 8.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -113.26 154.06 27.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -81.79 41.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.2 -27.05 3.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -82.86 -9.84 59.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.587 ' O ' HG22 ' A' ' 39' ' ' ILE . 64.2 mt -71.78 0.31 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.818 HD12 ' N ' ' A' ' 41' ' ' ASP . 3.3 pp -53.0 -25.75 13.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.818 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -49.92 -32.1 13.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.89 94.06 2.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 170.66 101.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -63.1 86.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.677 HD11 HG21 ' A' ' 70' ' ' ILE . 32.3 mt -49.67 161.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -165.6 154.02 11.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' HIS . 38.0 mm -35.92 107.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 61.31 84.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.98 2.68 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 61.97 116.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.484 HG11 HD22 ' A' ' 45' ' ' LEU . 34.3 m -135.97 153.24 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.757 ' HB2' HD21 ' A' ' 73' ' ' LEU . 1.6 tt0 -122.69 126.36 47.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CE2' HD13 ' A' ' 23' ' ' ILE . 7.7 p90 -142.98 160.6 40.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.9 m -97.64 129.72 44.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.169 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.666 HG13 ' HB2' ' A' ' 65' ' ' ASN . 79.4 t -114.68 101.19 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.4 m -131.47 144.6 54.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 116.42 4.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.736 2.291 . . . . 0.0 112.348 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -98.52 148.59 23.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.18 36.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.535 HD12 ' C ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -103.53 -30.75 10.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.62 176.52 8.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.25 64.28 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 71.31 81.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.44 84.2 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.666 ' HB2' HG13 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -59.86 132.0 52.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.34 144.68 50.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.428 ' HB1' ' CG ' ' A' ' 53' ' ' PHE . . . -86.24 114.18 22.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.1 pt -100.53 160.69 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.506 ' HE ' HD11 ' A' ' 40' ' ' LEU . 2.0 mmt85 35.06 90.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.677 HG21 HD11 ' A' ' 45' ' ' LEU . 70.2 mt -87.32 114.85 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -126.62 106.99 9.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.56 144.16 6.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.757 HD21 ' HB2' ' A' ' 52' ' ' GLU . 3.2 mt -101.68 147.6 34.08 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.594 0.712 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 169.2 19.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.89 140.56 53.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.46 63.02 1.08 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 42.1 m -159.87 -60.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 111.132 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.7 t -101.36 150.88 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.67 172.1 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.608 ' CE2' HG22 ' A' ' 26' ' ' VAL . 77.3 m-85 -116.43 -45.95 2.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -175.71 120.95 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.84 90.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -57.57 165.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.1 m -154.6 93.97 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -37.33 -64.67 0.68 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 158.1 58.09 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.679 2.252 . . . . 0.0 112.375 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -166.35 93.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.6 m 54.24 168.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.507 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.8 153.55 19.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.839 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 p -175.38 163.56 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.18 -122.23 0.89 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t 64.85 101.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -148.46 -46.81 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.9 100.68 0.18 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.62 143.1 39.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -115.55 154.18 29.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.3 mtm -131.0 137.27 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.76 -142.02 3.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.6 142.85 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 111.082 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.695 HD13 HG12 ' A' ' 23' ' ' ILE . 24.9 mm -68.08 140.93 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.151 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.16 -34.74 6.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.433 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -149.18 155.33 40.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 38.6 mmm -135.27 42.85 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.433 ' NH1' ' HB1' ' A' ' 15' ' ' ALA . 17.0 mmp_? -42.28 148.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.27 91.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.54 -27.54 4.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -158.39 176.86 11.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -152.95 -157.31 7.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -154.3 149.96 27.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.695 HG12 HD13 ' A' ' 13' ' ' ILE . 7.0 mt -131.11 112.31 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -81.6 120.47 25.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 m -78.49 151.0 32.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.8 m -72.25 -30.05 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -107.91 -43.85 4.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -79.03 128.16 32.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.87 33.67 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.3 m -135.23 139.41 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.09 156.73 24.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.4 tpp -114.8 90.56 3.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.545 ' O ' ' CD2' ' A' ' 33' ' ' PHE . 2.8 t80 -52.72 100.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -99.68 163.65 12.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.01 155.19 23.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.799 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -81.64 41.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.39 -25.66 3.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -86.17 -11.17 53.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 39' ' ' ILE . 39.7 mt -72.51 0.41 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.816 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.3 pp -52.94 -23.84 8.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.816 ' N ' HD12 ' A' ' 40' ' ' LEU . 7.5 t70 -41.02 -35.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' ' ND2' ' A' ' 43' ' ' ASN . . . 109.41 86.13 1.73 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.494 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 5.5 m-20 170.54 117.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.733 0.301 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -74.62 98.2 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.4 mt -56.31 163.41 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -159.84 155.91 26.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.444 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 46.7 mm -44.74 121.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 69.21 50.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -110.42 137.98 47.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -79.08 123.0 26.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.1 m -138.01 161.7 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.492 ' HB2' HD21 ' A' ' 73' ' ' LEU . 10.8 tt0 -132.87 122.91 25.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.48 ' CE2' HD13 ' A' ' 23' ' ' ILE . 7.7 p90 -132.55 157.34 44.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.2 m -88.38 132.2 34.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.0 t -108.31 116.27 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.4 m -150.75 144.44 17.28 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.64 0.733 . . . . 0.0 111.083 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 153.42 68.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.634 2.223 . . . . 0.0 112.349 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -117.97 163.56 16.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -75.73 -13.56 60.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.35 -44.76 96.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 m -142.8 171.72 13.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.23 -42.53 18.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.2 84.48 2.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -172.0 107.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -101.98 -177.98 3.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.92 147.55 24.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.43 120.94 33.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.6 pt -112.02 156.97 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 38.49 78.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.414 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 93.9 mt -78.07 124.14 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -123.75 151.15 43.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' HB2' ' CB ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -93.3 127.33 38.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 52' ' ' GLU . 9.7 mt -84.67 144.05 41.91 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.894 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 156.77 62.32 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.687 2.258 . . . . 0.0 112.278 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -58.11 139.38 54.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.01 60.44 1.67 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 95.1 m -150.13 -57.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.347 . . . . 0.0 111.116 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -102.19 152.99 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.99 176.8 2.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -120.84 172.88 7.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -58.14 9.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.8 119.79 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -76.48 125.22 28.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.4 t -62.54 157.01 21.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.14 146.2 5.32 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.82 28.88 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.6 p -143.33 136.12 27.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.0 p -124.86 120.69 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.9 m -125.27 116.67 22.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.91 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 m -155.39 109.88 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.6 -51.02 0.48 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.65 -56.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.13 -74.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.35 47.03 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -86.65 160.55 18.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.753 0.311 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -134.76 154.54 51.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.53 152.37 26.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.87 156.4 28.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.2 m -100.57 136.35 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 111.103 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.414 ' CD1' HG12 ' A' ' 23' ' ' ILE . 17.9 mm -65.62 120.88 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.22 -12.29 26.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.1 160.56 18.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 90.0 mtp -142.32 39.84 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 mmp_? -40.11 157.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -67.6 85.43 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.29 -38.59 1.78 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.664 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 15.3 p90 -153.67 171.2 19.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.903 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.58 -159.32 8.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -137.76 157.51 46.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.522 HD11 ' CD1' ' A' ' 34' ' ' PHE . 4.5 mt -140.77 112.82 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -79.21 84.77 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -53.54 146.03 13.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.659 HG22 ' CG ' ' A' ' 80' ' ' PHE . 78.5 t -74.45 -32.98 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -86.29 -40.5 15.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.492 ' HB3' HG22 ' A' ' 30' ' ' VAL . 11.2 mtt85 -105.91 141.19 37.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.65 28.59 2.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.492 HG22 ' HB3' ' A' ' 28' ' ' ARG . 16.0 m -122.88 136.38 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -59.62 139.38 57.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.51 ' SD ' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -101.02 85.91 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.664 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -45.58 113.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.522 ' CD1' HD11 ' A' ' 23' ' ' ILE . 34.3 p90 -129.03 155.13 45.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -107.84 155.16 20.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -80.95 42.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.02 -23.06 4.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.7 -14.32 40.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.586 HD13 HD22 ' A' ' 45' ' ' LEU . 38.3 mt -70.63 0.39 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.771 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.2 pp -52.92 -22.56 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.771 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -41.69 -26.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.832 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.26 91.64 2.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 170.25 139.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -95.12 92.62 6.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.676 HD12 ' HG3' ' A' ' 72' ' ' LYS . 0.9 OUTLIER -48.06 176.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.47 149.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.532 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 16.3 mm -41.38 116.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 73.75 59.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -122.7 135.29 54.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -77.74 129.01 34.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.501 HG23 ' HE2' ' A' ' 53' ' ' PHE . 16.1 m -134.49 146.36 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -112.33 121.85 46.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.501 ' HE2' HG23 ' A' ' 51' ' ' VAL . 1.7 p90 -132.07 161.04 34.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.1 m -88.6 -57.26 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.51 HG21 ' SD ' ' A' ' 32' ' ' MET . 86.6 t 64.35 124.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.3 m -140.42 152.39 66.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.683 0.754 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 2.9 3.1 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.701 2.267 . . . . 0.0 112.325 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.94 160.11 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -11.68 61.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 61' ' ' SER . 0.5 OUTLIER -88.57 -19.66 26.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 60' ' ' LEU . 2.4 m 34.32 42.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.29 43.43 1.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? 62.8 76.08 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -177.52 151.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -162.43 149.33 13.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.61 153.93 43.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.27 126.82 34.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 69' ' ' ARG . 3.2 pt -107.04 155.98 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' ILE . 56.6 mtm-85 34.59 79.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.2 mt -79.02 119.0 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -115.74 101.15 8.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.676 ' HG3' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -54.03 121.27 7.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.3 mt -79.37 147.33 68.23 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.63 0.729 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 162.45 42.01 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.71 2.274 . . . . 0.0 112.341 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.16 104.41 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.6 56.31 0.22 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.511 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.2 m -140.08 -64.35 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 0.0 111.138 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.453 HG22 ' N ' ' A' ' 79' ' ' SER . 2.9 p -93.94 154.91 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.453 ' N ' HG22 ' A' ' 78' ' ' VAL . 52.1 p -158.5 141.95 15.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.659 ' CG ' HG22 ' A' ' 26' ' ' VAL . 2.8 p90 -175.91 142.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -43.53 147.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.6 m -153.9 108.03 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.815 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -106.64 128.79 54.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.6 m -127.86 -174.97 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.4 -95.01 0.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 153.69 68.56 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.291 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.97 171.02 7.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.3 m -134.59 121.83 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.43 142.5 41.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.899 0.381 . . . . 0.0 110.868 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.9 p -94.29 113.66 25.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.814 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.94 -120.95 6.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.6 p -45.53 99.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 110.885 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.92 -51.38 0.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.32 46.89 0.31 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 -92.24 154.67 18.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.3 . . . . 0.0 110.932 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -133.93 151.19 51.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.2 157.19 19.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.61 168.8 41.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.7 m -102.58 148.27 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.077 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.468 ' CD1' HG12 ' A' ' 23' ' ' ILE . 18.7 mm -72.99 112.31 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.26 -10.91 58.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.481 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -179.22 146.78 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.402 ' HE1' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -150.05 63.42 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.481 ' NH1' ' HB1' ' A' ' 15' ' ' ALA . 15.5 mmp_? -57.2 -171.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -79.36 79.96 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.72 -58.13 0.62 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -125.53 -169.12 1.94 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.91 0.386 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.37 -145.55 5.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.531 ' CD1' ' HG3' ' A' ' 31' ' ' ARG . 25.7 m-85 -161.93 145.89 12.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 110.822 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 13' ' ' ILE . 10.7 mt -126.19 113.28 33.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.66 113.55 20.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.53 144.47 41.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.547 HG22 ' CE2' ' A' ' 80' ' ' PHE . 41.3 t -70.77 -44.02 76.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.25 -40.62 51.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.25 136.33 34.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -88.38 39.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 m -137.94 167.21 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.531 ' HG3' ' CD1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -105.06 148.97 26.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.5 tpp -114.16 120.4 40.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 33' ' ' PHE . 1.5 p90 -78.06 121.11 23.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -120.4 162.2 19.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -104.51 155.23 19.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.64 38.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.0 m -122.6 -24.21 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -84.62 -10.5 57.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.647 ' O ' HG22 ' A' ' 39' ' ' ILE . 53.0 mt -70.87 0.43 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.729 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.9 pp -53.05 -19.53 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.729 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -50.73 -17.72 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.18 87.55 1.33 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 173.32 113.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.771 0.319 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.93 86.55 1.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.402 ' O ' ' HE1' ' A' ' 16' ' ' MET . 40.8 mt -46.45 154.79 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -150.03 150.2 31.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.629 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 39.3 mm -41.46 113.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 79.81 62.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.049 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -133.76 136.76 44.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.453 ' HG2' ' CG1' ' A' ' 78' ' ' VAL . 1.7 mt-10 -75.71 139.36 41.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.4 m -142.92 147.85 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.658 ' OE1' HD21 ' A' ' 73' ' ' LEU . 15.8 tt0 -110.99 115.7 29.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -138.45 157.07 46.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.7 m -96.59 121.75 38.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -111.82 114.0 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.3 m -136.3 144.57 48.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.631 0.729 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 145.66 57.99 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.24 159.31 17.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.28 49.79 1.03 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mt -134.47 15.09 3.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.9 m 62.52 159.3 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . 48.83 28.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -148.24 166.95 26.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 65' ' ' ASN . 8.2 ttp180 -172.75 149.38 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 64' ' ' ARG . 38.1 p30 -35.34 147.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.77 170.05 22.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.26 128.31 44.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.5 pt -116.86 152.06 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.655 ' HD3' HD11 ' A' ' 40' ' ' LEU . 24.3 mmt85 40.19 72.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.459 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 49.6 mt -70.25 114.0 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -117.98 121.66 41.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.97 135.31 52.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.658 HD21 ' OE1' ' A' ' 52' ' ' GLU . 12.0 mt -105.39 144.09 28.11 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.613 0.721 . . . . 0.0 110.895 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 154.97 66.93 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.334 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -60.21 131.84 52.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.7 -40.52 2.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.427 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 97.7 m -52.15 -69.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.127 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.673 HG22 ' H ' ' A' ' 79' ' ' SER . 5.2 p -108.17 172.12 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.673 ' H ' HG22 ' A' ' 78' ' ' VAL . 0.3 OUTLIER 172.75 -179.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.869 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.547 ' CE2' HG22 ' A' ' 26' ' ' VAL . 7.1 m-85 -118.3 -60.76 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -155.44 -56.33 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.2 m -147.76 84.78 1.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -95.52 120.22 35.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 93.2 p -134.72 117.38 15.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 179.23 82.99 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 127.05 14.09 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.707 2.271 . . . . 0.0 112.375 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.3 t -67.35 149.78 49.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.912 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.29 85.27 2.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.812 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m 60.84 115.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.918 0.39 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.13 132.21 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.3 50.05 0.8 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.65 120.84 40.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.881 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.56 163.1 15.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.15 43.1 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.478 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -120.79 148.7 43.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.72 0.295 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -126.92 169.88 12.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.435 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -118.95 156.28 29.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -161.58 165.64 35.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.41 HG11 ' CD2' ' A' ' 80' ' ' PHE . 33.2 m -103.41 139.6 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.478 ' CD1' HG12 ' A' ' 23' ' ' ILE . 7.9 mm -72.4 99.33 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.64 -26.74 68.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.05 157.41 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.064 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.452 ' SD ' HG21 ' A' ' 13' ' ' ILE . 2.3 ptm -156.67 81.55 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -94.73 154.13 17.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -43.14 105.39 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.47 -54.99 0.78 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.569 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -153.44 -172.34 4.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.854 0.359 . . . . 0.0 110.918 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.05 -158.48 8.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CZ ' ' CE2' ' A' ' 20' ' ' PHE . 24.3 m-85 -152.29 151.78 31.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.498 HD11 ' CD1' ' A' ' 34' ' ' PHE . 8.6 mt -137.74 111.93 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -86.26 139.5 30.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.418 ' CB ' ' HB2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -79.67 158.44 27.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.3 t -64.86 -46.29 92.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -101.32 -41.85 6.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.418 ' HB2' ' CB ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -71.41 158.35 36.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.73 42.89 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 m -122.84 146.78 27.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.92 127.96 44.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 32.5 tpp -97.0 86.12 3.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.505 ' CG ' ' O ' ' A' ' 33' ' ' PHE . 2.1 p90 -56.96 121.02 8.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.498 ' CD1' HD11 ' A' ' 23' ' ' ILE . 20.1 p90 -118.76 168.73 10.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -104.01 155.17 18.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -80.65 42.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 m -124.77 -24.17 4.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.831 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -83.84 -9.41 58.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.498 ' O ' HG22 ' A' ' 39' ' ' ILE . 22.5 mt -73.43 0.4 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.69 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.5 pp -52.84 -20.46 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.69 ' N ' HD12 ' A' ' 40' ' ' LEU . 3.3 t0 -50.54 -17.85 0.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . 85.16 90.83 0.83 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.461 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 7.3 m-20 171.28 116.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.767 0.318 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.64 109.91 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.624 HD11 HG11 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -72.02 164.21 26.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -168.26 154.54 7.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 46' ' ' HIS . 30.0 mm -35.12 120.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 44.91 82.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.74 2.92 10.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.632 ' HB3' HG21 ' A' ' 78' ' ' VAL . 4.9 mt-10 54.15 106.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.624 HG11 HD11 ' A' ' 45' ' ' LEU . 33.4 m -125.99 160.15 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.782 ' HB2' HD11 ' A' ' 73' ' ' LEU . 3.0 tt0 -117.86 127.34 53.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.407 ' CB ' ' HB1' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -136.36 161.28 36.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.8 m -85.75 -45.15 11.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 81.4 t 60.44 118.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.7 m -139.22 144.98 42.71 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.616 0.722 . . . . 0.0 111.153 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 0.91 4.9 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.8 174.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.6 mmm -110.95 -41.17 4.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.5 mt -50.84 -61.43 2.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 t -111.64 129.23 56.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.33 -46.15 80.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.069 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.47 99.4 10.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.28 89.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -103.89 125.44 50.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -139.36 150.57 45.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.407 ' HB1' ' CB ' ' A' ' 53' ' ' PHE . . . -85.94 129.47 34.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.2 pt -112.82 163.43 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 40.88 64.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.436 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 75.2 mt -69.0 121.21 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.34 129.61 43.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 140.08 46.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.782 HD11 ' HB2' ' A' ' 52' ' ' GLU . 88.6 mt -105.9 144.29 28.6 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.61 0.719 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 168.83 20.37 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.382 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 155.41 39.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.6 55.73 6.5 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 50.5 m -162.77 -52.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.107 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.632 HG21 ' HB3' ' A' ' 50' ' ' GLU . 20.6 t -91.08 158.16 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.464 ' N ' HG12 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -59.32 -155.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.804 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.41 ' CD2' HG11 ' A' ' 12' ' ' VAL . 38.7 m-85 60.32 108.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -108.15 98.66 8.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.9 t -52.53 113.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -64.47 133.34 52.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.54 116.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.32 147.46 34.46 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 152.7 69.27 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.692 2.262 . . . . 0.0 112.305 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.1 p -137.34 91.5 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.1 p -123.41 -54.23 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.456 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -135.86 152.85 51.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.353 . . . . 0.0 110.85 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -163.23 145.16 9.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.41 66.5 0.49 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.478 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.39 117.25 33.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.852 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.48 96.5 10.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.1 80.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -112.98 123.79 51.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -100.34 160.78 14.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.478 ' HE3' HG22 ' A' ' 78' ' ' VAL . 31.0 mtm -140.49 137.53 33.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.57 -157.16 8.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.47 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.4 m -125.51 148.27 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.345 . . . . 0.0 111.146 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.604 HD13 HG12 ' A' ' 23' ' ' ILE . 12.7 mm -85.25 98.09 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.11 -26.0 61.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.512 ' HB1' HH12 ' A' ' 17' ' ' ARG . . . -154.45 146.77 23.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.067 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.429 ' HE1' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -156.81 79.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.512 HH12 ' HB1' ' A' ' 15' ' ' ALA . 12.7 mmp_? -69.54 -172.25 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -78.68 89.07 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.87 -45.99 1.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -137.44 -176.14 4.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.425 ' CA ' ' HA ' ' A' ' 16' ' ' MET . . . -163.63 -147.16 4.97 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.464 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -159.75 152.17 21.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.604 HG12 HD13 ' A' ' 13' ' ' ILE . 40.3 mt -134.12 112.78 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -74.12 115.22 13.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.67 126.72 31.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.926 HG12 ' CG ' ' A' ' 80' ' ' PHE . 18.4 m -62.58 -32.57 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.162 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -96.26 -44.05 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.3 mtt85 -85.74 151.9 23.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.0 31.72 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.8 123.55 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -62.61 159.77 15.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.3 tpp -111.26 133.59 53.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -87.65 105.68 17.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.552 ' HB2' HD11 ' A' ' 70' ' ' ILE . 24.1 p90 -106.59 159.75 15.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -109.34 154.53 22.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.402 ' HA ' HD12 ' A' ' 39' ' ' ILE . 4.3 m-85 -82.88 39.61 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.3 t -122.83 -31.87 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -80.78 -11.14 59.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.608 ' O ' HG22 ' A' ' 39' ' ' ILE . 51.7 mt -70.62 0.33 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.81 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.5 pp -52.89 -24.77 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.972 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.81 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -45.46 -25.14 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.796 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . 100.97 91.84 2.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.427 ' CG ' ' HB3' ' A' ' 72' ' ' LYS . 7.2 m-20 170.49 113.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.342 . . . . 0.0 110.881 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.12 89.44 3.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.633 HD11 HG21 ' A' ' 70' ' ' ILE . 71.7 mt -54.74 167.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.33 -172.62 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.477 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 48.1 mm -64.81 115.17 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 70.39 58.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.06 119.63 30.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -56.53 145.8 26.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.4 m -152.8 154.37 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.426 ' HB2' HD21 ' A' ' 73' ' ' LEU . 44.9 tt0 -129.58 119.97 24.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.416 ' CE1' HD13 ' A' ' 23' ' ' ILE . 4.7 p90 -138.19 161.64 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.0 m -98.43 96.16 7.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.5 t -67.97 123.85 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.5 m -154.49 144.34 15.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 162.01 43.72 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.251 . . . . 0.0 112.325 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.34 169.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -39.79 62.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 mt -86.9 27.49 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.5 p 41.65 45.08 2.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.32 28.42 4.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.05 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 46.86 80.27 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.5 75.52 1.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -67.73 125.28 25.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.407 ' CE1' HG23 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -134.52 170.57 15.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.72 120.81 39.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 69' ' ' ARG . 6.3 pt -101.26 158.05 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' ILE . 1.0 OUTLIER 34.67 86.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.633 HG21 HD11 ' A' ' 45' ' ' LEU . 53.5 mt -90.95 112.93 25.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -124.24 106.27 10.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.427 ' HB3' ' CG ' ' A' ' 43' ' ' ASN . 14.3 tttt -44.34 148.96 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' A' ' 52' ' ' GLU . 8.1 mt -100.81 146.09 31.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 150.88 68.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.362 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.92 137.86 31.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.72 59.22 2.25 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.508 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 93.7 m -143.52 -47.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.855 0.36 . . . . 0.0 111.14 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.478 HG22 ' HE3' ' A' ' 10' ' ' MET . 3.1 t -106.34 153.65 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.72 116.53 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.926 ' CG ' HG12 ' A' ' 26' ' ' VAL . 2.0 p90 -151.33 -46.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -93.52 104.58 16.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.1 p -118.25 41.89 2.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -100.51 124.19 45.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.5 m 62.36 147.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.45 160.25 36.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 114.99 3.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.731 2.287 . . . . 0.0 112.302 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 84.2 p -101.69 133.69 46.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.3 141.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.472 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.93 82.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.79 156.03 19.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.95 141.2 12.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.438 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.9 p -176.23 122.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -62.67 -48.39 79.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.51 177.06 19.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -99.07 120.95 40.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -112.68 161.97 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.481 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -110.68 154.63 23.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.19 160.3 33.92 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.8 m -98.06 144.9 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.654 HD13 HG12 ' A' ' 23' ' ' ILE . 6.4 mm -76.59 122.96 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.27 -34.74 12.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.95 160.05 33.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.2 mtp -155.37 41.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.09 159.38 7.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.32 96.26 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.02 -50.01 0.9 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -147.86 -179.86 7.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.85 -149.89 5.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.417 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 49.7 m-85 -155.85 139.64 16.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 110.922 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.654 HG12 HD13 ' A' ' 13' ' ' ILE . 2.9 mt -120.44 113.93 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -81.17 136.27 35.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.6 m -92.45 139.57 30.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.763 HG12 ' CE2' ' A' ' 80' ' ' PHE . 5.5 m -65.0 -34.48 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -92.35 -46.18 7.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.82 149.97 26.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -100.42 37.4 1.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.2 m -137.95 174.3 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.417 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 18.0 ptt180 -108.41 166.54 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.571 ' SD ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -121.83 85.65 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' ' 33' ' ' PHE . 2.8 t80 -47.04 100.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.467 ' CD1' HD11 ' A' ' 23' ' ' ILE . 42.4 p90 -101.25 164.31 11.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -111.46 155.22 23.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -82.4 39.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.26 -30.22 2.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -79.89 -12.12 59.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.625 ' O ' HG22 ' A' ' 39' ' ' ILE . 67.9 mt -70.71 0.4 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.759 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.8 pp -52.89 -21.82 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.759 ' N ' HD12 ' A' ' 40' ' ' LEU . 1.5 t0 -50.51 -28.13 7.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.68 93.38 2.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.434 ' CG ' ' HB2' ' A' ' 72' ' ' LYS . 3.2 m-80 170.76 112.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -76.44 85.38 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.453 HD22 HG11 ' A' ' 51' ' ' VAL . 63.3 mt -38.66 154.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 47' ' ' ILE . 1.5 m-70 -148.15 138.84 23.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.57 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 46.3 mm -35.92 110.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 75.86 71.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.078 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.34 133.35 29.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.08 132.74 48.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.453 HG11 HD22 ' A' ' 45' ' ' LEU . 31.2 m -141.36 154.93 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -117.46 128.31 54.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.692 ' CB ' ' HB1' ' A' ' 67' ' ' ALA . 3.0 p90 -144.6 156.33 44.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.467 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 51.0 m -97.02 122.5 40.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.571 HG22 ' SD ' ' A' ' 32' ' ' MET . 95.6 t -103.78 128.26 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 m -136.26 150.4 70.78 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.595 0.712 . . . . 0.0 111.158 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 2.8 3.2 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.392 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 62.51 152.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -56.62 16.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 61' ' ' SER . 4.6 mt -91.68 -68.3 0.8 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 60' ' ' LEU . 50.1 m -35.9 107.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.39 -52.13 20.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -113.89 68.4 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -162.58 140.66 8.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.551 ' HB3' HG13 ' A' ' 55' ' ' VAL . 86.8 m-20 -137.93 161.8 35.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.17 146.31 27.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.692 ' HB1' ' CB ' ' A' ' 53' ' ' PHE . . . -90.65 124.89 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.467 ' CG1' ' HB ' ' A' ' 54' ' ' THR . 1.6 pt -106.22 159.01 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.464 ' NE ' HD11 ' A' ' 40' ' ' LEU . 4.7 mmt85 36.0 79.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 79.3 mt -82.84 123.02 38.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.403 ' HB2' ' CG ' ' A' ' 41' ' ' ASP . 12.9 ttpt -136.76 115.24 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.434 ' HB2' ' CG ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -56.61 137.22 54.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.481 ' CD1' ' HG2' ' A' ' 10' ' ' MET . 37.4 mt -90.94 151.03 42.95 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.64 0.733 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 150.63 68.7 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.399 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 139.52 55.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.27 64.16 1.67 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.6 m -156.21 -38.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 111.132 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.8 t -115.57 152.71 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 m -160.0 174.2 14.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.763 ' CE2' HG12 ' A' ' 26' ' ' VAL . 35.4 m-85 -115.83 140.63 49.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.52 -45.3 4.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.32 120.47 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -74.59 165.43 25.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.6 p -160.1 177.56 10.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.9 146.18 37.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 117.89 5.36 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.0 t -126.89 -68.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.0 p 178.89 161.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -105.87 143.63 33.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -153.66 113.14 3.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.29 122.35 6.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 m -96.11 119.98 35.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.905 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -165.95 131.0 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.0 84.09 0.31 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -116.63 124.07 48.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 110.875 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -100.45 149.24 23.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.86 138.17 54.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.83 178.21 36.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 m -98.09 152.58 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.125 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.539 HG21 ' HG2' ' A' ' 16' ' ' MET . 38.5 mm -80.72 121.31 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.11 -20.51 28.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.05 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.57 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -166.7 151.94 7.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.109 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.539 ' HG2' HG21 ' A' ' 13' ' ' ILE . 3.3 mmm -135.13 41.06 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.57 ' NH1' ' HB1' ' A' ' 15' ' ' ALA . 15.8 mmp_? -45.59 148.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.88 97.75 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.23 -33.16 4.45 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -154.39 168.31 27.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.898 0.38 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.58 -147.92 4.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 31' ' ' ARG . 15.0 m-85 -156.61 167.38 30.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.436 HG23 HD13 ' A' ' 13' ' ' ILE . 3.6 mt -147.27 105.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -88.22 109.46 19.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.0 172.64 5.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.192 HG12 ' CE2' ' A' ' 80' ' ' PHE . 29.2 m -92.54 -38.75 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.04 -35.3 11.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.407 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -78.55 -42.02 30.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 62.46 42.6 8.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 28' ' ' ARG . 2.0 m -139.15 148.84 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.481 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.0 ptt180 -82.49 125.18 30.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.84 94.76 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -49.62 135.04 19.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.413 ' CD2' HD11 ' A' ' 23' ' ' ILE . 30.1 p90 -153.86 155.19 35.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -95.38 155.19 16.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -81.3 41.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.82 -17.71 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.493 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 0.5 OUTLIER -86.14 -9.46 56.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.559 ' O ' HG22 ' A' ' 39' ' ' ILE . 43.7 mt -74.31 0.4 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.167 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.617 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.4 pp -52.92 -15.91 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.617 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -56.27 -14.72 3.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.5 77.05 0.45 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -144.71 9.76 1.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' ASN . 3.0 mt-30 34.38 82.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.45 HD21 HG21 ' A' ' 70' ' ' ILE . 2.8 mp -61.64 173.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.479 ' CB ' ' OD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -171.95 157.18 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -43.65 135.73 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 52.23 59.49 4.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.479 ' OD2' ' CB ' ' A' ' 46' ' ' HIS . 50.7 m-20 -125.15 120.44 31.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.6 124.88 23.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.422 ' HB ' HG23 ' A' ' 70' ' ' ILE . 34.1 m -131.51 144.87 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -104.49 127.54 52.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.569 ' CB ' ' HB1' ' A' ' 67' ' ' ALA . 12.5 p90 -140.27 157.47 45.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 91.6 m -103.73 111.76 24.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.108 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.473 HG13 ' HB2' ' A' ' 65' ' ' ASN . 95.3 t -80.24 124.24 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.4 m -136.43 144.38 47.26 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.614 0.721 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 152.18 69.0 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.717 2.278 . . . . 0.0 112.317 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.36 171.0 8.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.98 8.63 25.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.475 HD13 ' HE ' ' A' ' 64' ' ' ARG . 4.5 mt -94.99 -44.22 7.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 81.4 p -166.49 153.37 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.23 -33.65 28.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.95 83.86 3.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.475 ' HE ' HD13 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -178.14 104.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.473 ' HB2' HG13 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -138.85 176.62 8.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.489 ' CE1' ' CG2' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -156.66 164.82 37.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.569 ' HB1' ' CB ' ' A' ' 53' ' ' PHE . . . -96.43 116.6 29.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.489 ' CG2' ' CE1' ' A' ' 66' ' ' HIS . 9.5 pt -103.99 161.67 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' ILE . 3.3 mmt180 34.6 71.58 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.45 HG21 HD21 ' A' ' 45' ' ' LEU . 78.8 mt -71.37 119.46 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -127.01 111.05 13.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.5 156.39 3.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.2 mt -119.71 147.54 44.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.948 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 156.1 64.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 0.0 112.349 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -62.06 122.48 15.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 129.7 -55.07 0.77 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.1 m -46.2 -62.38 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.33 . . . . 0.0 111.12 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 79' ' ' SER . 30.5 t -90.59 157.87 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.467 ' N ' HG12 ' A' ' 78' ' ' VAL . 0.3 OUTLIER 175.76 177.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 1.192 ' CE2' HG12 ' A' ' 26' ' ' VAL . 5.1 m-85 -121.79 176.68 5.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -113.52 -44.51 3.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -86.92 136.73 32.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -113.96 152.63 30.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.88 -55.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 164.3 82.16 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -6.85 19.57 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.695 2.264 . . . . 0.0 112.345 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.02 103.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.877 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.85 117.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.452 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 t -107.78 -45.07 4.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.9 p 178.98 96.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.821 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.64 -64.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.3 p -122.11 141.02 51.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.948 0.404 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.98 102.68 3.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.79 51.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.455 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.84 130.1 34.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 110.82 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -109.77 152.46 25.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.68 158.54 31.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.96 161.21 35.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.7 m -96.38 134.64 33.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.784 0.325 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.65 HD13 HG12 ' A' ' 23' ' ' ILE . 27.5 mm -66.76 121.14 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.37 -39.31 14.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.54 164.5 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.439 ' CE ' ' HB2' ' A' ' 45' ' ' LEU . 85.9 mtp -141.47 45.38 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' MET . 4.8 mmp_? -37.47 148.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -60.96 85.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.49 -28.8 3.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.488 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -157.48 162.84 38.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.953 0.406 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.455 ' C ' ' CE1' ' A' ' 34' ' ' PHE . . . -137.38 179.38 18.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.412 ' C ' HG13 ' A' ' 23' ' ' ILE . 5.7 m-85 -119.06 161.58 20.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.65 HG12 HD13 ' A' ' 13' ' ' ILE . 21.7 mt -140.14 120.51 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.91 123.99 35.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 90.3 m -81.39 145.57 30.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.642 HG22 ' CZ ' ' A' ' 80' ' ' PHE . 43.1 t -82.52 -23.52 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 27' ' ' ASP . 0.8 OUTLIER -105.76 -32.07 8.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -104.56 148.49 26.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.19 41.13 1.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 30' ' ' VAL . 30.4 m -137.62 125.11 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -61.01 161.57 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.9 ttm -134.23 73.61 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -44.16 142.34 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.455 ' CE1' ' C ' ' A' ' 21' ' ' GLY . 26.3 p90 -133.99 170.18 16.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -113.99 154.38 27.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -81.6 41.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.4 -29.48 3.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.63 -11.08 57.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.548 ' O ' HG22 ' A' ' 39' ' ' ILE . 35.4 mt -70.79 0.56 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.763 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.3 pp -52.73 -23.9 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.763 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.4 t70 -43.01 -40.45 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.07 86.8 1.39 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 171.68 134.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.748 0.309 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.07 111.84 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.595 HD11 HG11 ' A' ' 51' ' ' VAL . 3.3 mm? -56.48 -177.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.49 149.68 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 19.4 mm -47.16 115.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 74.51 53.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -119.1 135.94 54.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.6 143.26 33.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.595 HG11 HD11 ' A' ' 45' ' ' LEU . 16.5 m -148.81 142.21 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.751 ' HB2' HD11 ' A' ' 73' ' ' LEU . 1.3 tm-20 -104.6 132.95 50.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.52 150.7 45.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.3 m -72.0 -50.23 30.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.1 t 60.37 125.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.8 m -154.22 144.91 16.04 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.617 0.722 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 86.12 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.366 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -44.66 161.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.43 34.63 5.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.5 mt -135.06 -55.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.5 m -122.37 119.73 31.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.37 45.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -88.96 29.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.2 tpt85 74.33 131.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -42.99 134.56 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.38 177.45 4.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -109.65 120.12 41.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' ARG . 7.3 pt -101.11 161.8 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.16 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER 35.12 70.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 42.7 mt -71.22 109.79 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -117.16 119.35 34.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.43 124.93 25.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.751 HD11 ' HB2' ' A' ' 52' ' ' GLU . 3.5 mt -85.99 152.63 56.47 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 147.67 63.06 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.655 2.237 . . . . 0.0 112.366 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -55.13 124.69 17.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.58 -52.43 0.73 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.4 m -41.15 -48.34 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 111.183 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.505 HG12 ' N ' ' A' ' 79' ' ' SER . 21.3 t -114.76 160.05 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.505 ' N ' HG12 ' A' ' 78' ' ' VAL . 0.7 OUTLIER 179.68 174.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.784 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.642 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 10.3 m-85 -114.73 45.82 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 60.83 144.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 84.6 p -92.99 175.05 6.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -97.56 164.17 12.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.809 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.5 134.61 23.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.6 -86.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 135.18 29.79 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.631 2.221 . . . . 0.0 112.372 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.2 169.8 9.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 57.07 94.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m 54.37 41.32 32.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.914 0.388 . . . . 0.0 110.855 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.45 173.0 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.96 -138.91 9.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.5 p 39.99 80.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 0.0 110.877 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.0 p -127.57 175.88 7.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.53 60.17 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.422 ' CZ ' ' OG1' ' A' ' 54' ' ' THR . 14.0 mmt180 -79.89 136.76 36.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.78 0.324 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -111.2 147.32 35.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.6 156.29 19.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.41 162.23 31.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -98.05 142.64 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.803 0.335 . . . . 0.0 111.134 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.568 HD13 HG12 ' A' ' 23' ' ' ILE . 45.8 mm -74.53 106.25 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.13 -44.9 17.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.66 155.38 33.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.454 ' CG ' HG21 ' A' ' 13' ' ' ILE . 42.2 mtp -148.03 47.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -53.61 176.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -81.96 43.66 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.28 -48.79 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.507 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 22.0 p90 -136.46 -178.79 5.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.918 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.5 -161.89 15.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -138.08 143.42 40.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.568 HG12 HD13 ' A' ' 13' ' ' ILE . 18.4 mt -128.08 88.65 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -56.06 119.77 6.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.72 144.45 37.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.4 m -83.28 -10.69 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -101.29 -46.89 4.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -100.87 163.0 12.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.72 40.93 1.16 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.0 m -143.11 146.62 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -84.35 154.11 23.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.7 tpp -107.07 115.45 30.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.507 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -66.5 112.26 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.42 ' HB2' HD11 ' A' ' 70' ' ' ILE . 17.2 p90 -118.69 152.01 36.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -106.92 155.2 20.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -80.61 42.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.3 -27.51 3.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -80.3 -12.8 59.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.554 HG22 ' O ' ' A' ' 39' ' ' ILE . 40.7 mt -70.7 0.49 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.811 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.0 pp -52.92 -24.71 9.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.811 ' N ' HD12 ' A' ' 40' ' ' LEU . 7.1 m-20 -45.84 -37.57 6.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.88 93.92 2.22 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.504 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 170.2 98.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.48 90.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.609 HD11 HG21 ' A' ' 70' ' ' ILE . 29.9 mt -57.8 155.37 10.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -144.84 156.02 43.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.9 mm -43.73 127.05 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 61.99 59.19 1.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -127.71 137.42 52.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -67.3 139.51 57.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.6 m -143.43 144.41 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.486 ' CG ' HD21 ' A' ' 73' ' ' LEU . 3.7 tt0 -109.05 129.91 55.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 53' ' ' PHE . 2.5 p90 -148.18 150.8 34.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.422 ' OG1' ' CZ ' ' A' ' 8' ' ' ARG . 23.9 m -88.91 111.15 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.4 t -91.62 132.67 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.8 m -155.92 150.52 20.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.62 0.724 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 110.91 2.67 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.712 2.275 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.41 161.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.88 32.07 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.56 HD12 ' C ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -135.98 -37.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.53 136.52 47.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.75 84.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.135 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -100.05 73.87 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.34 141.5 14.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -149.79 154.45 38.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -139.08 177.56 7.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.79 122.02 34.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.076 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.6 pt -109.21 160.22 8.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' ILE . 2.1 mmt-85 34.66 81.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.609 HG21 HD11 ' A' ' 45' ' ' LEU . 79.3 mt -76.95 115.09 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.06 114.64 19.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.428 ' NZ ' ' HA ' ' A' ' 45' ' ' LEU . 13.8 tttp -53.87 152.43 5.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.963 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.486 HD21 ' CG ' ' A' ' 52' ' ' GLU . 13.4 mt -111.18 147.48 36.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.624 0.726 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 160.42 49.78 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.266 . . . . 0.0 112.329 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.55 125.97 27.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.13 -45.99 1.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 73.8 m -51.07 -75.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.87 150.42 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.13 118.04 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.467 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -161.77 45.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -177.44 -49.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.89 81.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.53 151.87 19.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.1 t -104.69 130.09 52.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.83 146.45 10.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -0.43 6.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.9 m 60.95 104.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.9 t -73.6 168.32 19.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -121.98 -58.45 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.919 0.39 . . . . 0.0 110.89 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m 49.04 90.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.8 -149.48 37.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 t -132.34 111.12 11.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.941 0.401 . . . . 0.0 110.835 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.0 m -124.14 114.47 19.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.25 66.51 0.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.5 mtt85 -89.12 129.04 35.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.737 0.304 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -116.39 165.34 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.44 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -128.24 153.24 47.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.02 172.81 38.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.3 m -111.45 138.29 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 111.158 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.449 HD13 HG23 ' A' ' 23' ' ' ILE . 23.7 mm -67.98 142.33 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.11 -25.6 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.98 135.16 47.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.43 ' HE1' ' HB2' ' A' ' 45' ' ' LEU . 48.9 mmm -142.91 51.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.465 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 13.6 mmp_? -46.39 -85.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -160.04 51.76 0.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.505 ' HA2' ' CG ' ' A' ' 36' ' ' PHE . . . 139.28 -41.93 1.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.494 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -123.2 163.84 19.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -175.5 -125.68 0.89 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.507 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -157.74 169.22 25.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.496 HD11 ' CD1' ' A' ' 34' ' ' PHE . 3.3 mt -147.83 96.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.71 109.33 2.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 t -70.31 153.23 43.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.6 m -85.67 -30.08 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -83.69 -43.0 15.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.7 164.52 12.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.93 38.34 2.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.6 m -138.43 176.74 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.2 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -101.56 149.56 23.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.46 ' SD ' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -115.66 73.82 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 32' ' ' MET . 1.5 t80 -37.07 149.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.496 ' CD1' HD11 ' A' ' 23' ' ' ILE . 5.9 p90 -153.36 159.68 42.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -106.66 155.39 19.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.505 ' CG ' ' HA2' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -82.81 37.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.35 -17.87 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -92.8 -12.67 30.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.591 ' O ' HG22 ' A' ' 39' ' ' ILE . 55.5 mt -70.71 0.49 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.788 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.0 pp -52.85 -20.76 3.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.788 ' N ' HD12 ' A' ' 40' ' ' LEU . 8.4 t70 -44.96 -27.66 0.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.58 82.92 1.66 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 171.58 122.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -76.1 127.9 33.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.512 HD11 HG11 ' A' ' 51' ' ' VAL . 1.6 mm? -81.8 165.39 20.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.474 ' N ' ' OD2' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -167.44 147.37 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.876 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.63 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 44.3 mm -41.28 116.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 79.43 51.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.474 ' OD2' ' N ' ' A' ' 46' ' ' HIS . 1.8 m-20 -117.07 130.43 56.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.19 135.32 36.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.512 HG11 HD11 ' A' ' 45' ' ' LEU . 34.6 m -139.85 169.39 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.523 ' HB2' HD21 ' A' ' 73' ' ' LEU . 3.1 tt0 -132.64 127.11 34.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -138.51 150.24 46.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.7 m -76.91 -60.88 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.523 HG22 ' HA ' ' A' ' 67' ' ' ALA . 67.8 t 63.25 137.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.8 m -150.99 144.67 17.38 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.585 0.707 . . . . 0.0 111.15 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 145.46 57.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -97.72 -176.54 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.0 mmm -128.77 -44.02 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 61' ' ' SER . 4.3 mp -128.04 -51.75 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -35.2 114.96 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -34.01 -60.33 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -43.3 162.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.35 -159.55 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -45.72 101.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.584 ' CE1' HG23 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -112.93 147.4 37.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.523 ' HA ' HG22 ' A' ' 55' ' ' VAL . . . -87.95 124.57 33.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.062 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.584 HG23 ' CE1' ' A' ' 66' ' ' HIS . 1.6 pt -110.27 161.56 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' ILE . 28.4 mmt85 34.43 77.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 69.2 mt -77.69 126.25 37.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -131.12 122.91 27.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.23 133.33 46.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 52' ' ' GLU . 11.9 mt -94.47 149.22 36.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.742 . . . . 0.0 110.931 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 154.03 68.27 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.752 2.301 . . . . 0.0 112.32 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 111.82 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.89 -44.1 1.03 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.444 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.8 m -58.9 -52.15 66.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 111.15 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 t -100.42 152.33 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.44 126.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.469 ' CD1' ' O ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -162.97 130.4 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.1 t60 54.64 107.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.1 m -61.04 119.89 9.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -87.44 133.56 33.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 m -159.66 127.66 4.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.13 83.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 113.38 3.35 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.326 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.1 t -128.96 -45.28 1.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.88 164.52 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.471 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -110.6 167.78 9.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 0.0 110.864 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.25 175.49 11.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.919 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.05 60.37 3.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.404 ' HA ' HG21 ' A' ' 54' ' ' THR . 0.1 OUTLIER -129.58 109.31 10.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.852 0.358 . . . . 0.0 110.906 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.5 -63.73 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.05 115.28 3.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -96.31 120.15 36.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -108.54 157.81 18.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.484 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 1.7 ptt? -149.15 150.14 32.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -148.72 -144.2 3.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -131.22 136.06 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 111.135 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.7 mm -66.22 114.56 3.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.56 -27.51 17.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.43 165.12 27.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.067 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.1 mtp -153.57 34.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.6 156.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.85 94.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.73 -47.4 1.02 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -155.03 -175.67 5.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.31 -132.68 1.36 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.462 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.592 ' CZ ' ' CZ ' ' A' ' 33' ' ' PHE . 8.9 m-85 -154.06 157.07 38.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 mt -136.0 106.7 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.5 112.27 17.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.53 156.12 31.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.584 HG11 ' O ' ' A' ' 79' ' ' SER . 60.3 t -77.81 -50.52 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -39.02 61.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -97.28 146.3 25.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -106.36 40.83 1.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.95 132.33 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.5 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 23.2 mtt180 -67.65 135.4 52.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.09 111.07 23.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.592 ' CZ ' ' CZ ' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -69.83 123.38 21.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.853 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -128.69 160.61 31.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -108.01 155.2 20.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.33 36.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.1 m -120.42 -28.14 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -80.28 -14.07 58.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.542 HG22 ' O ' ' A' ' 39' ' ' ILE . 34.8 mt -70.79 0.47 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.816 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.2 pp -52.8 -26.07 13.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.816 ' N ' HD12 ' A' ' 40' ' ' LEU . 3.6 m-20 -40.86 -29.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.15 90.43 2.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 170.03 105.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.727 0.298 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -64.79 95.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 mt -59.54 156.88 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -141.47 170.44 15.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.586 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 5.5 mm -62.1 116.21 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 76.73 58.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.36 150.42 45.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -81.14 131.96 35.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.484 ' O ' ' CB ' ' A' ' 10' ' ' MET . 0.8 OUTLIER -138.78 142.32 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.153 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.647 ' HB2' HD11 ' A' ' 73' ' ' LEU . 10.6 tt0 -118.03 128.53 54.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.476 ' CG ' ' HB1' ' A' ' 67' ' ' ALA . 5.5 p90 -148.23 155.22 41.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.404 HG21 ' HA ' ' A' ' 5' ' ' SER . 25.6 m -89.59 122.1 32.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.456 HG13 ' HB2' ' A' ' 65' ' ' ASN . 90.3 t -97.77 117.41 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.1 m -139.21 144.77 41.9 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.631 0.729 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 143.2 50.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.351 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -121.91 142.05 50.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.799 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.93 22.82 13.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mp -127.43 41.04 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 80.6 p -178.37 44.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . 48.0 37.58 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.081 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 72.58 107.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.7 138.7 4.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.456 ' HB2' HG13 ' A' ' 55' ' ' VAL . 2.0 p30 -95.9 149.34 21.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.97 145.42 35.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.476 ' HB1' ' CG ' ' A' ' 53' ' ' PHE . . . -89.61 119.27 29.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.8 pt -99.46 155.68 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER 34.77 84.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.2 mt -84.17 113.67 23.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.68 115.35 23.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.92 139.63 33.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.647 HD11 ' HB2' ' A' ' 52' ' ' GLU . 10.5 mt -97.39 148.87 35.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.613 0.72 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.38 65.11 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -48.25 149.52 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.72 65.82 2.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.5 m -150.47 -48.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.841 0.353 . . . . 0.0 111.099 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 t -110.21 154.9 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.584 ' O ' HG11 ' A' ' 26' ' ' VAL . 1.6 m -172.45 169.62 5.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 81' ' ' HIS . 19.1 m-85 -118.29 84.95 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER 34.7 77.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.42 178.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.28 127.6 53.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.805 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 79.9 p -53.71 102.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -94.3 -169.27 37.55 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -12.96 34.15 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.713 2.275 . . . . 0.0 112.352 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.5 t -41.92 114.59 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.7 p -68.12 -177.73 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 179.938 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t 54.43 95.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.372 . . . . 0.0 110.894 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.6 p -142.36 110.86 6.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.4 -176.52 37.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.52 40.03 3.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 110.819 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 m -81.52 44.03 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.54 62.64 0.35 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -83.93 132.21 34.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.328 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -112.41 152.04 29.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -112.29 156.47 22.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.92 160.95 34.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.495 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.0 m -96.64 145.48 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 111.177 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.44 ' CD1' HG12 ' A' ' 23' ' ' ILE . 19.6 mm -69.94 122.88 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.16 -28.68 14.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.56 158.53 41.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.435 ' SD ' HG21 ' A' ' 13' ' ' ILE . 56.5 mmm -144.67 83.83 1.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' HD3' ' N ' ' A' ' 17' ' ' ARG . 0.7 OUTLIER -97.75 150.21 21.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -61.22 94.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.14 -34.8 2.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -159.99 177.98 10.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.849 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.21 -163.34 12.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.518 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 6.4 m-85 -145.68 145.64 30.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.474 HD11 ' CD2' ' A' ' 34' ' ' PHE . 6.3 mt -135.64 96.89 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -63.39 122.53 16.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.17 129.32 39.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.4 HG23 ' CD1' ' A' ' 80' ' ' PHE . 10.9 p -58.94 -37.8 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -94.3 -42.14 9.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -86.6 178.63 7.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -122.6 47.7 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.9 m -140.02 146.5 24.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.518 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 4.0 mtt-85 -81.85 150.29 27.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.491 ' CE ' ' O ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -112.35 81.12 1.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -41.79 116.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.474 ' CD2' HD11 ' A' ' 23' ' ' ILE . 25.6 p90 -124.86 161.84 25.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -113.12 155.24 25.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -80.54 43.04 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.4 m -128.44 -29.94 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.512 ' OE2' HG22 ' A' ' 68' ' ' ILE . 5.0 mm-40 -81.39 -16.52 51.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 39' ' ' ILE . 42.6 mt -70.24 0.42 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.76 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.4 pp -52.63 -25.24 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.76 ' N ' HD12 ' A' ' 40' ' ' LEU . 1.3 m-20 -42.91 -29.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.76 89.56 2.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 m120 169.51 121.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -82.3 118.08 22.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.4 mp -76.06 172.04 13.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -175.16 156.36 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' HIS . 33.2 mm -37.31 118.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 62.71 70.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.44 ' CG ' ' HE3' ' A' ' 72' ' ' LYS . 19.7 m-20 -132.13 128.07 37.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -69.06 131.46 45.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.8 m -140.66 135.87 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.772 ' HB2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -104.55 129.35 52.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.455 ' CB ' ' HB1' ' A' ' 67' ' ' ALA . 1.5 p90 -136.41 154.32 50.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.5 m -84.48 -55.93 3.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.119 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.542 HG22 ' HA ' ' A' ' 67' ' ' ALA . 99.7 t 64.49 141.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.5 m -153.9 143.96 15.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.718 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 131.13 20.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.91 166.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.1 mtm -81.92 -38.9 24.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -72.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.7 m -164.91 48.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . 41.17 44.42 2.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -50.7 -39.35 51.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -164.18 139.44 5.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.491 ' O ' ' CE ' ' A' ' 32' ' ' MET . 1.0 OUTLIER -99.44 119.36 37.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.46 159.7 15.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.542 ' HA ' HG22 ' A' ' 55' ' ' VAL . . . -97.69 113.13 24.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.512 HG22 ' OE2' ' A' ' 38' ' ' GLU . 6.2 pt -91.8 160.31 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' ILE . 50.3 mtm-85 34.34 77.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.9 mt -84.85 118.93 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -133.18 122.91 24.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.44 ' HE3' ' CG ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -56.62 150.77 14.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.772 HD21 ' HB2' ' A' ' 52' ' ' GLU . 3.5 mt -103.0 148.16 35.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.954 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 150.34 68.52 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.369 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.09 141.03 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.65 60.53 1.97 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.4 m -152.58 -46.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 0.0 111.149 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.5 t -108.82 149.41 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.9 p -167.31 143.24 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.4 ' CD1' HG23 ' A' ' 26' ' ' VAL . 1.5 p90 -173.45 42.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 59.04 82.73 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 t -169.67 147.83 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.02 110.72 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.5 p -106.26 146.5 30.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.91 -160.36 28.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 130.86 20.03 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.3 p -123.52 -47.67 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.9 t -153.55 -59.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -121.53 160.93 23.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.374 . . . . 0.0 110.897 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -90.63 42.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.82 89.93 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -159.99 111.2 1.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 110.879 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.69 -50.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.66 101.98 0.36 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.511 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -102.21 119.78 39.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.724 0.297 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -98.77 154.97 17.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.42 ' HB3' HG21 ' A' ' 78' ' ' VAL . 0.6 OUTLIER -125.27 158.37 34.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.65 -168.93 29.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.451 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 m -126.59 126.89 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.446 HD13 HG12 ' A' ' 23' ' ' ILE . 35.0 mm -59.28 136.85 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -112.75 -27.12 8.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.89 154.72 42.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.0 mmm -147.05 37.69 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.44 161.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -64.21 96.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.91 -46.26 1.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -147.32 -177.89 5.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.376 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.83 -137.15 2.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CD1' ' HG3' ' A' ' 31' ' ' ARG . 29.0 m-85 -160.51 152.62 20.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.446 HG12 HD13 ' A' ' 13' ' ' ILE . 13.9 mt -135.09 100.33 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.171 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -78.51 119.83 22.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -72.34 168.57 18.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.142 HG22 ' CE1' ' A' ' 80' ' ' PHE . 95.0 t -85.45 -40.32 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.115 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.42 -34.44 14.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -94.73 130.26 41.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -89.36 40.36 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 30' ' ' VAL . 17.2 m -141.59 125.05 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.559 ' HG3' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -64.49 157.96 25.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 47.8 tpp -112.82 110.48 20.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.35 109.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -118.64 166.09 13.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -111.58 154.95 24.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -80.91 42.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.5 -14.87 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.45 ' HB3' ' N ' ' A' ' 69' ' ' ARG . 2.2 mm-40 -90.54 -13.79 33.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.502 ' O ' HG22 ' A' ' 39' ' ' ILE . 22.5 mt -72.6 0.46 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.698 HD12 ' N ' ' A' ' 41' ' ' ASP . 1.5 pp -52.85 -15.94 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.698 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -50.9 -30.07 13.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.02 89.65 2.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 171.72 130.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -79.09 73.3 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.659 ' CD1' HG21 ' A' ' 70' ' ' ILE . 6.1 mt -53.06 175.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.55 -175.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' ALA . 35.7 mm -44.4 127.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ILE . . . 35.44 88.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -133.21 13.73 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 54.68 107.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.469 HG11 HD13 ' A' ' 45' ' ' LEU . 1.5 m -128.44 152.34 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.652 ' HB2' HD21 ' A' ' 73' ' ' LEU . 10.1 tt0 -119.5 116.69 26.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 53' ' ' PHE . 2.4 p90 -127.43 161.15 29.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.2 m -94.79 110.55 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 71.9 t -86.5 108.98 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.0 m -121.11 144.27 39.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.597 0.713 . . . . 0.0 111.145 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 0.29 5.79 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.741 2.294 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 66.3 -178.61 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.0 mtp -119.67 45.22 2.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.6 mt -132.7 -54.71 0.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.1 p -150.36 176.6 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.95 48.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -166.5 32.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.14 119.21 16.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.36 149.28 52.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.41 138.6 21.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.42 124.34 32.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.4 pp -119.83 165.53 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.45 ' N ' ' HB3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER 34.93 73.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.659 HG21 ' CD1' ' A' ' 45' ' ' LEU . 48.1 mt -69.14 126.7 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -127.34 119.07 25.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.28 145.42 55.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.652 HD21 ' HB2' ' A' ' 52' ' ' GLU . 6.1 mt -114.56 148.06 39.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.588 0.708 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.16 64.66 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.91 142.29 46.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.68 -36.78 4.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.8 m -55.91 -66.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.859 0.362 . . . . 0.0 111.151 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 79' ' ' SER . 15.9 t -99.72 157.04 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.439 ' N ' HG12 ' A' ' 78' ' ' VAL . 0.4 OUTLIER 172.61 147.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.848 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 1.142 ' CE1' HG22 ' A' ' 26' ' ' VAL . 44.3 p90 -179.69 118.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 54.87 94.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.7 m -153.32 90.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -89.49 113.12 24.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.823 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 51.0 p -47.07 120.6 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 159.56 -161.56 32.29 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 117.54 5.14 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -154.17 94.92 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -161.65 -50.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.493 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.0 p -165.58 134.17 3.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 110.844 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 p -114.98 165.0 13.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.6 53.83 0.28 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.1 t -103.04 -51.16 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -114.71 145.34 42.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.03 143.99 15.46 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.524 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.94 132.04 47.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -110.96 157.75 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -120.02 158.51 26.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.33 175.35 40.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 m -118.16 121.31 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 111.154 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.468 ' CD1' HG12 ' A' ' 23' ' ' ILE . 16.4 mm -48.51 119.4 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.52 -27.03 21.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.428 ' O ' ' CG2' ' A' ' 13' ' ' ILE . . . -146.63 166.77 25.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.44 ' HG3' HD13 ' A' ' 47' ' ' ILE . 29.3 mtp -154.33 53.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.427 ' CZ ' ' H ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -72.42 157.8 36.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.34 106.61 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.65 -43.34 1.36 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.54 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -152.52 -174.65 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.932 0.396 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.549 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -157.42 -161.43 10.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.478 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 21' ' ' GLY . 19.9 m-85 -151.67 153.93 35.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 13' ' ' ILE . 14.9 mt -134.31 120.14 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.92 108.12 19.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.08 149.85 8.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.79 -18.19 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.94 -42.29 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -79.04 -179.49 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -124.3 5.68 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.55 147.69 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 -76.74 162.42 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.8 ttm -122.49 101.49 7.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -54.17 136.57 42.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -145.79 149.31 34.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.12 155.19 18.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.468 ' CD1' HD12 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -83.83 35.61 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.47 -21.35 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -80.38 -3.54 50.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.576 ' O ' HG22 ' A' ' 39' ' ' ILE . 46.2 mt -77.05 0.33 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.635 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.6 pp -52.86 -19.26 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.635 ' N ' HD12 ' A' ' 40' ' ' LEU . 1.2 t0 -51.38 -19.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.87 80.98 1.5 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 172.68 107.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.774 0.321 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -69.52 95.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.505 HD11 HG21 ' A' ' 70' ' ' ILE . 45.2 mt -45.07 158.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -150.69 157.13 42.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.44 HD13 ' HG3' ' A' ' 16' ' ' MET . 34.8 mm -50.16 123.76 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 59.88 63.59 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.069 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.94 125.38 33.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -55.99 142.81 34.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -147.63 144.42 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.488 ' HB2' HD21 ' A' ' 73' ' ' LEU . 3.0 tt0 -115.62 128.98 56.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.661 ' CD1' HG23 ' A' ' 55' ' ' VAL . 1.2 p90 -140.81 149.43 42.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.4 m -67.76 -48.27 66.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.661 HG23 ' CD1' ' A' ' 53' ' ' PHE . 41.1 t 53.79 102.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.65 156.41 75.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.654 0.74 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 1.41 4.45 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.641 2.227 . . . . 0.0 112.334 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 55.32 174.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.29 37.68 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.8 HD23 ' HG2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -106.08 -24.58 12.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.521 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 2.3 m 76.85 168.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 61' ' ' SER . . . 72.72 36.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 54.06 97.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.8 ' HG2' HD23 ' A' ' 60' ' ' LEU . 16.7 tpt180 -150.9 101.43 2.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.63 142.95 49.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -141.04 173.36 11.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.72 113.45 26.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' ARG . 4.8 pt -105.46 169.16 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' ILE . 23.0 mmt180 36.28 60.42 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.505 HG21 HD11 ' A' ' 45' ' ' LEU . 64.7 mt -67.02 117.58 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -126.57 129.61 48.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 146.38 54.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' A' ' 52' ' ' GLU . 79.0 mt -106.45 147.12 34.36 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 159.83 52.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.24 132.45 46.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.74 -49.59 0.84 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.9 m -47.21 -67.97 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.846 0.355 . . . . 0.0 111.144 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.2 t -84.98 151.91 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.41 136.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -176.05 -33.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.435 ' O ' ' CB ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -47.49 -59.59 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 81' ' ' HIS . 2.0 t 78.12 -52.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.26 162.15 13.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.63 172.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 167.67 149.99 6.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.456 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 123.47 10.14 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.667 2.244 . . . . 0.0 112.355 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.0 m -140.27 127.96 21.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 t -135.8 -49.21 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.733 0.301 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -110.8 148.78 31.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.458 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -113.54 153.3 29.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.86 163.55 35.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.2 m -99.0 140.4 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.552 HD13 HG12 ' A' ' 23' ' ' ILE . 23.6 mm -69.39 123.83 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.69 -18.17 17.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.96 149.77 16.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.52 ' HG2' HG21 ' A' ' 13' ' ' ILE . 37.0 mmm -136.09 41.05 2.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' MET . 4.7 mmp_? -37.53 150.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -61.23 90.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.3 -26.6 4.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -153.53 -166.15 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.924 0.393 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -173.81 -153.24 9.57 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -155.17 149.13 25.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.576 HG21 ' HE2' ' A' ' 53' ' ' PHE . 14.9 mt -129.91 99.26 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -71.08 111.44 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.88 155.36 36.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.5 m -79.69 -29.81 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -95.69 -41.12 9.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -92.32 149.4 21.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -101.18 39.86 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 m -141.4 146.61 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -77.61 162.61 26.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.9 tpp -121.44 86.78 2.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -41.25 122.66 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -129.36 161.17 30.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -110.53 155.15 22.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -80.77 42.71 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.3 -25.66 3.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.4 -14.84 42.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.619 HG22 ' O ' ' A' ' 39' ' ' ILE . 72.1 mt -72.03 0.41 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.759 HD12 ' N ' ' A' ' 41' ' ' ASP . 1.8 pp -53.1 -17.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.759 ' N ' HD12 ' A' ' 40' ' ' LEU . 15.1 t70 -44.14 -37.88 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.449 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . 113.63 82.95 1.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.448 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 11.0 m-20 172.29 118.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -77.27 84.51 3.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.419 HD11 HG21 ' A' ' 70' ' ' ILE . 82.9 mt -45.42 168.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.1 167.58 22.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.597 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 49.7 mm -51.36 113.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 78.2 53.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.064 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -122.17 119.34 30.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.88 139.39 58.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.0 m -143.42 158.17 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -120.83 131.62 54.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.576 ' HE2' HG21 ' A' ' 23' ' ' ILE . 1.6 p90 -145.52 143.88 30.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 99.0 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 -179.891 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.852 0.358 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.442 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 0.4 OUTLIER -119.19 148.07 43.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.67 114.59 24.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -94.36 160.02 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' ILE . 10.1 mmt180 34.58 80.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.419 HG21 HD11 ' A' ' 45' ' ' LEU . 74.7 mt -81.39 117.67 27.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -120.42 116.82 26.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -65.86 123.83 20.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.458 ' CD1' ' HG2' ' A' ' 10' ' ' MET . 63.8 mt -86.41 144.06 37.42 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.62 0.724 . . . . 0.0 110.977 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 168.67 20.83 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -75.29 116.83 16.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.43 -44.91 1.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.4 m -59.84 -59.58 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 111.128 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.829 0.347 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -101.96 156.49 17.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.53 158.06 33.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.63 168.98 39.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.3 m -107.49 141.38 22.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.718 HD13 HG12 ' A' ' 23' ' ' ILE . 29.4 mm -76.17 89.71 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.81 -26.37 67.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.419 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -161.57 151.84 17.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -154.02 63.39 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.429 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 16.2 mmp_? -60.61 179.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.85 86.63 5.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.59 -31.27 2.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -155.5 -175.32 5.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.432 ' HA3' ' CZ ' ' A' ' 34' ' ' PHE . . . -163.05 -163.54 15.94 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.504 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -155.72 146.85 22.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.718 HG12 HD13 ' A' ' 13' ' ' ILE . 4.2 mt -132.2 104.56 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -58.99 111.58 1.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.0 m -77.98 122.21 25.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.2 t -63.4 -31.46 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.86 -43.62 44.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -97.68 179.75 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -101.72 -15.88 16.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 m -107.39 152.11 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 -68.36 -171.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 35.6 tpp -135.55 97.52 3.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -47.31 131.02 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.462 ' CD2' HD11 ' A' ' 23' ' ' ILE . 17.0 p90 -136.05 146.45 47.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -97.2 155.18 16.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -80.66 42.82 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.0 m -125.34 -25.74 3.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -82.73 -13.04 57.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.563 HG22 ' O ' ' A' ' 39' ' ' ILE . 47.2 mt -70.74 0.32 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.711 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.6 pp -52.96 -23.22 6.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.711 ' N ' HD12 ' A' ' 40' ' ' LEU . 3.3 t0 -43.15 -31.53 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' ND2' ' A' ' 43' ' ' ASN . . . 105.71 82.11 1.52 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 5.1 m-20 171.17 117.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.321 . . . . 0.0 110.912 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -76.38 101.65 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.9 mt -52.16 159.67 0.89 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.62 150.89 40.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.588 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 45.8 mm -48.23 107.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 76.66 63.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.11 135.74 47.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.465 ' HG2' ' CG1' ' A' ' 78' ' ' VAL . 2.0 mt-10 -62.7 138.13 58.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.9 m -138.37 156.7 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.162 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.785 ' HB2' HD21 ' A' ' 73' ' ' LEU . 7.4 tt0 -118.37 128.78 54.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.681 ' HE2' HG21 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -147.87 156.36 42.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.8 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.176 -179.916 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.88 0.372 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.528 ' CE1' ' CG2' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -134.28 147.47 50.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.33 118.45 29.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.528 ' CG2' ' CE1' ' A' ' 66' ' ' HIS . 3.0 pt -109.64 160.01 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' ILE . 26.2 mmm-85 36.27 77.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.458 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 89.3 mt -75.45 125.24 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -126.83 113.81 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -63.52 125.05 22.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.785 HD21 ' HB2' ' A' ' 52' ' ' GLU . 1.5 mt -99.88 149.81 36.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 159.94 51.54 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.619 2.212 . . . . 0.0 112.375 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.07 118.85 14.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 135.3 -20.26 3.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 54.7 m -71.45 -77.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 111.171 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 50' ' ' GLU . 14.6 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.774 0.321 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -124.11 150.69 44.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.448 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.88 156.9 24.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.919 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.38 -175.45 33.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 m -121.95 128.16 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.17 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.401 ' CD1' HG12 ' A' ' 23' ' ' ILE . 8.1 mm -61.25 85.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.22 -18.64 64.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.45 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -167.07 149.55 6.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.28 57.77 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.45 ' NH1' ' HB1' ' A' ' 15' ' ' ALA . 14.7 mmp_? -55.18 169.43 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.24 90.05 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.12 -36.63 2.07 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.442 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -153.18 -177.62 6.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.929 0.395 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.67 -170.34 33.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.519 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -139.78 159.0 43.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.479 HD11 ' CD1' ' A' ' 34' ' ' PHE . 7.7 mt -140.68 107.47 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -79.36 120.81 24.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.04 149.72 36.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.0 m -71.4 -40.65 73.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.42 -44.77 12.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.6 172.41 8.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.84 24.85 11.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.2 m -99.06 155.32 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.85 139.3 36.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.9 ttm -107.85 86.37 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -48.34 131.57 16.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.479 ' CD1' HD11 ' A' ' 23' ' ' ILE . 42.5 p90 -135.91 164.5 27.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -109.78 155.24 21.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -80.81 42.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.9 -24.41 4.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -85.3 -11.14 55.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 39' ' ' ILE . 57.4 mt -71.61 0.43 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.807 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.7 pp -52.97 -23.68 7.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.807 ' N ' HD12 ' A' ' 40' ' ' LEU . 2.4 t0 -44.39 -37.89 3.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.0 90.08 2.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 171.13 114.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -70.17 92.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.8 mt -55.07 160.65 1.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -155.83 167.18 31.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.667 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 46.1 mm -56.64 111.54 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 83.34 49.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -111.15 134.24 52.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.662 ' HB3' HG21 ' A' ' 78' ' ' VAL . 2.5 mt-10 -85.78 117.85 24.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.4 m -127.69 165.1 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.43 ' HB2' HD21 ' A' ' 73' ' ' LEU . 6.0 tt0 -122.09 131.99 54.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -145.62 158.92 43.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 95.4 m . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.117 -179.881 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.11 160.22 19.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.62 135.82 48.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 69' ' ' ARG . 8.0 pt -124.62 157.97 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 68' ' ' ILE . 7.5 mmt85 37.22 81.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.0 mt -78.87 114.44 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.6 125.54 45.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -65.68 148.43 51.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.448 ' CD1' ' HG2' ' A' ' 10' ' ' MET . 15.8 mt -107.39 146.86 34.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.552 0.691 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 149.57 67.08 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.234 . . . . 0.0 112.363 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 147.99 20.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.08 53.51 3.12 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 52.7 m -165.06 -65.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 111.153 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.662 HG21 ' HB3' ' A' ' 50' ' ' GLU . 2.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.755 0.312 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.453 ' O ' ' CE1' ' A' ' 53' ' ' PHE . 3.5 mm-40 -104.14 148.5 26.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.552 ' HB3' HG21 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -104.36 152.27 22.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.35 156.27 26.85 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.511 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 m -97.72 138.96 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.8 mm -66.79 133.02 31.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.26 -20.84 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.445 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -153.8 168.65 25.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.8 mtp -159.78 44.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' NH1' ' HB1' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -56.12 164.75 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.02 89.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.68 -37.89 1.68 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -157.65 -166.67 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.66 -162.77 21.45 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.441 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CE1' ' HD2' ' A' ' 31' ' ' ARG . 15.2 m-85 -139.94 155.44 47.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.4 mt -140.87 111.33 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -88.89 100.84 13.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.1 m -65.82 169.86 6.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.0 t -81.65 -53.02 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -34.4 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -101.02 130.27 47.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.02 34.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.6 163.51 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 14.2 ptt180 -90.1 141.57 28.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.0 tpp -105.77 93.27 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -51.25 113.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -119.97 157.65 28.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -105.78 155.01 19.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -81.72 41.16 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -122.89 -21.87 5.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' N ' ' OE1' ' A' ' 38' ' ' GLU . 0.4 OUTLIER -88.63 -10.9 47.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.519 HG22 ' O ' ' A' ' 39' ' ' ILE . 16.4 mt -71.14 0.36 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.708 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.2 pp -52.89 -20.73 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.708 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -41.32 -38.49 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.59 82.36 1.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 173.12 149.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.764 0.316 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.96 106.32 17.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.33 170.29 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -170.01 146.45 3.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.471 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 12.8 mm -34.12 116.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 70.21 62.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.434 ' OD2' ' CE ' ' A' ' 72' ' ' LYS . 2.4 m-20 -123.98 131.42 53.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -68.63 131.46 45.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.8 m -141.25 141.23 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.437 ' HB2' HD11 ' A' ' 73' ' ' LEU . 15.6 tt0 -110.83 128.48 55.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.453 ' CE1' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -136.14 154.12 51.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 47.2 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 -179.936 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.876 0.369 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -143.88 174.9 10.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.81 135.63 53.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.2 pt -124.59 154.02 31.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 68' ' ' ILE . 1.9 mmm180 36.88 69.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 40.6 mt -68.42 110.06 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.24 108.71 20.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.434 ' CE ' ' OD2' ' A' ' 49' ' ' ASP . 11.7 tttm -66.65 108.9 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 52' ' ' GLU . 14.9 mt -73.15 143.81 83.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.583 0.706 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 147.91 64.19 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.66 2.24 . . . . 0.0 112.391 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -48.25 138.93 9.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.89 61.24 1.61 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.412 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.4 m -148.4 -50.77 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.372 . . . . 0.0 111.119 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.552 HG21 ' HB3' ' A' ' 10' ' ' MET . 25.7 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.801 0.334 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -118.82 149.53 41.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -113.4 151.39 31.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.38 170.84 38.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.4 m -105.07 143.79 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 111.161 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mm -72.02 114.84 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.65 -28.97 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.38 155.27 38.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.5 mmm -146.75 37.1 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.42 ' HE ' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -50.83 163.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.6 105.55 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.06 -27.69 6.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -175.01 171.56 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 0.0 110.848 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.96 -152.2 5.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.422 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 16.8 m-85 -148.28 148.7 30.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.534 HG21 ' HE2' ' A' ' 53' ' ' PHE . 6.8 mt -132.03 91.69 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.04 110.31 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -73.87 149.54 41.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.9 m -90.29 -12.74 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.82 -42.03 8.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -96.53 -177.55 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -105.0 -7.55 19.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.6 m -109.0 170.18 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.422 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -100.01 171.31 7.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.421 ' O ' HD12 ' A' ' 23' ' ' ILE . 39.2 tpp -123.44 98.35 5.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -65.97 129.23 39.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.527 ' CD1' HD11 ' A' ' 23' ' ' ILE . 5.4 p90 -116.36 170.58 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -108.81 155.18 21.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -82.05 42.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.5 m -127.79 -30.33 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -81.57 -13.74 57.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.588 HG22 ' O ' ' A' ' 39' ' ' ILE . 52.3 mt -71.41 0.42 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.789 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.5 pp -52.97 -21.88 4.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.789 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -41.66 -39.91 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.794 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.49 83.06 1.31 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.529 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 176.34 115.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -67.7 92.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.469 HD11 HG21 ' A' ' 70' ' ' ILE . 68.4 mt -56.23 160.79 2.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -156.09 168.27 27.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.0 mm -55.09 141.32 11.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.51 48.8 19.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -112.35 140.61 46.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -86.3 135.38 33.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 28.9 m -149.42 152.45 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.117 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.872 ' HB2' HD21 ' A' ' 73' ' ' LEU . 4.2 tt0 -118.28 133.36 55.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.534 ' HE2' HG21 ' A' ' 23' ' ' ILE . 13.1 p90 -146.69 157.76 43.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.5 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 -179.924 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.03 157.07 29.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HB1' ' CB ' ' A' ' 53' ' ' PHE . . . -98.28 116.44 30.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 69' ' ' ARG . 5.4 pt -96.9 155.62 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' ILE . 2.4 mmm180 34.81 83.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.469 HG21 HD11 ' A' ' 45' ' ' LEU . 96.2 mt -81.01 117.49 27.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -119.55 146.01 45.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.71 123.43 29.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.872 HD21 ' HB2' ' A' ' 52' ' ' GLU . 10.8 mt -80.02 148.79 68.82 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 168.16 22.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 145.95 50.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.9 49.03 30.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 42.6 m -125.99 -48.12 1.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.6 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.874 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.803 0.335 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.1 153.9 19.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.0 mtm -151.23 137.07 18.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.8 -152.11 6.32 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.8 m -122.04 147.73 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.764 0.316 . . . . 0.0 111.122 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.702 HD13 HG12 ' A' ' 23' ' ' ILE . 29.5 mm -79.29 123.23 35.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.45 -43.11 12.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.97 163.26 35.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 mmm -139.47 39.05 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.456 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 6.8 mmp_? -39.87 148.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.07 90.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.02 -28.05 3.38 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 17' ' ' ARG . 2.7 p90 -159.02 170.46 22.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.383 . . . . 0.0 110.911 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.37 -157.99 7.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -153.32 148.32 26.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.702 HG12 HD13 ' A' ' 13' ' ' ILE . 9.4 mt -133.9 108.34 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -81.71 121.53 26.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.96 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.2 t -93.06 142.17 27.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.4 -42.66 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.05 -42.85 31.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -98.0 124.17 42.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -82.76 43.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.7 m -141.74 141.4 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -79.3 153.39 29.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.6 tpp -117.6 91.65 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.524 ' O ' ' CG ' ' A' ' 33' ' ' PHE . 1.9 p90 -58.42 120.14 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -115.27 170.06 8.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -113.26 154.06 27.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -81.79 41.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.2 -27.05 3.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -82.86 -9.84 59.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.587 HG22 ' O ' ' A' ' 39' ' ' ILE . 64.2 mt -71.78 0.31 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.818 HD12 ' N ' ' A' ' 41' ' ' ASP . 3.3 pp -53.0 -25.75 13.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.818 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -49.92 -32.1 13.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.89 94.06 2.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 170.66 101.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -63.1 86.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.677 HD11 HG21 ' A' ' 70' ' ' ILE . 32.3 mt -49.67 161.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -165.6 154.02 11.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' HIS . 38.0 mm -35.92 107.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 61.31 84.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.98 2.68 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 61.97 116.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.484 HG11 HD22 ' A' ' 45' ' ' LEU . 34.3 m -135.97 153.24 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.757 ' HB2' HD21 ' A' ' 73' ' ' LEU . 1.6 tt0 -122.69 126.36 47.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CE2' HD13 ' A' ' 23' ' ' ILE . 7.7 p90 -142.98 160.6 40.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.9 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.169 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.467 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 0.5 OUTLIER -132.34 144.68 50.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.428 ' HB1' ' CG ' ' A' ' 53' ' ' PHE . . . -86.24 114.18 22.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.1 pt -100.53 160.69 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.506 ' HE ' HD11 ' A' ' 40' ' ' LEU . 2.0 mmt85 35.06 90.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.677 HG21 HD11 ' A' ' 45' ' ' LEU . 70.2 mt -87.32 114.85 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -126.62 106.99 9.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.56 144.16 6.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.757 HD21 ' HB2' ' A' ' 52' ' ' GLU . 3.2 mt -101.68 147.6 34.08 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.594 0.712 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 169.2 19.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.89 140.56 53.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.46 63.02 1.08 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 42.1 m -159.87 -60.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 111.132 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -115.55 154.18 29.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.3 mtm -131.0 137.27 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.76 -142.02 3.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.6 142.85 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 111.082 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.695 HD13 HG12 ' A' ' 23' ' ' ILE . 24.9 mm -68.08 140.93 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.151 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.16 -34.74 6.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.433 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -149.18 155.33 40.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 38.6 mmm -135.27 42.85 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.433 ' NH1' ' HB1' ' A' ' 15' ' ' ALA . 17.0 mmp_? -42.28 148.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.27 91.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.54 -27.54 4.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -158.39 176.86 11.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -152.95 -157.31 7.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -154.3 149.96 27.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.695 HG12 HD13 ' A' ' 13' ' ' ILE . 7.0 mt -131.11 112.31 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -81.6 120.47 25.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 m -78.49 151.0 32.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.8 m -72.25 -30.05 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -107.91 -43.85 4.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -79.03 128.16 32.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.87 33.67 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.3 m -135.23 139.41 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.09 156.73 24.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.4 tpp -114.8 90.56 3.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.545 ' CD2' ' O ' ' A' ' 33' ' ' PHE . 2.8 t80 -52.72 100.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -99.68 163.65 12.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.01 155.19 23.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.799 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -81.64 41.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.39 -25.66 3.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -86.17 -11.17 53.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 39' ' ' ILE . 39.7 mt -72.51 0.41 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.816 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.3 pp -52.94 -23.84 8.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.816 ' N ' HD12 ' A' ' 40' ' ' LEU . 7.5 t70 -41.02 -35.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' ' ND2' ' A' ' 43' ' ' ASN . . . 109.41 86.13 1.73 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.494 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 5.5 m-20 170.54 117.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.733 0.301 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -74.62 98.2 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.4 mt -56.31 163.41 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -159.84 155.91 26.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.444 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 46.7 mm -44.74 121.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 69.21 50.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -110.42 137.98 47.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -79.08 123.0 26.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.1 m -138.01 161.7 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.492 ' HB2' HD21 ' A' ' 73' ' ' LEU . 10.8 tt0 -132.87 122.91 25.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.48 ' CE2' HD13 ' A' ' 23' ' ' ILE . 7.7 p90 -132.55 157.34 44.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.2 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 -179.912 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.853 0.358 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.432 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 0.3 OUTLIER -154.92 147.55 24.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.43 120.94 33.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.6 pt -112.02 156.97 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 38.49 78.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.414 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 93.9 mt -78.07 124.14 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -123.75 151.15 43.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.407 ' HB2' ' CB ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -93.3 127.33 38.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 52' ' ' GLU . 9.7 mt -84.67 144.05 41.91 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.894 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 156.77 62.32 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.687 2.258 . . . . 0.0 112.278 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -58.11 139.38 54.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.01 60.44 1.67 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 95.1 m -150.13 -57.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.347 . . . . 0.0 111.116 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.753 0.311 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -134.76 154.54 51.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.53 152.37 26.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.87 156.4 28.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.2 m -100.57 136.35 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 111.103 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.414 ' CD1' HG12 ' A' ' 23' ' ' ILE . 17.9 mm -65.62 120.88 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.22 -12.29 26.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.1 160.56 18.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 90.0 mtp -142.32 39.84 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 mmp_? -40.11 157.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -67.6 85.43 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.29 -38.59 1.78 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.664 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 15.3 p90 -153.67 171.2 19.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.903 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.58 -159.32 8.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -137.76 157.51 46.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.522 HD11 ' CD1' ' A' ' 34' ' ' PHE . 4.5 mt -140.77 112.82 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -79.21 84.77 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -53.54 146.03 13.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.5 t -74.45 -32.98 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -86.29 -40.5 15.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.492 ' HB3' HG22 ' A' ' 30' ' ' VAL . 11.2 mtt85 -105.91 141.19 37.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.65 28.59 2.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.492 HG22 ' HB3' ' A' ' 28' ' ' ARG . 16.0 m -122.88 136.38 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -59.62 139.38 57.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.02 85.91 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.664 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -45.58 113.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.522 ' CD1' HD11 ' A' ' 23' ' ' ILE . 34.3 p90 -129.03 155.13 45.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -107.84 155.16 20.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -80.95 42.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.02 -23.06 4.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.7 -14.32 40.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.586 HD13 HD22 ' A' ' 45' ' ' LEU . 38.3 mt -70.63 0.39 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.771 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.2 pp -52.92 -22.56 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.771 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -41.69 -26.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.832 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.26 91.64 2.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 170.25 139.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -95.12 92.62 6.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.676 HD12 ' HG3' ' A' ' 72' ' ' LYS . 0.9 OUTLIER -48.06 176.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.47 149.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.532 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 16.3 mm -41.38 116.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 73.75 59.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -122.7 135.29 54.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -77.74 129.01 34.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.501 HG23 ' HE2' ' A' ' 53' ' ' PHE . 16.1 m -134.49 146.36 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -112.33 121.85 46.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.501 ' HE2' HG23 ' A' ' 51' ' ' VAL . 1.7 p90 -132.07 161.04 34.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.1 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 -179.895 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.857 0.36 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -143.61 153.93 43.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.27 126.82 34.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 69' ' ' ARG . 3.2 pt -107.04 155.98 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' ILE . 56.6 mtm-85 34.59 79.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.2 mt -79.02 119.0 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -115.74 101.15 8.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.676 ' HG3' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -54.03 121.27 7.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.3 mt -79.37 147.33 68.23 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.63 0.729 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 162.45 42.01 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.71 2.274 . . . . 0.0 112.341 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.16 104.41 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.6 56.31 0.22 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.511 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.2 m -140.08 -64.35 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 0.0 111.138 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.876 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.729 0.3 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -133.93 151.19 51.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.2 157.19 19.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.61 168.8 41.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.7 m -102.58 148.27 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.077 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.468 ' CD1' HG12 ' A' ' 23' ' ' ILE . 18.7 mm -72.99 112.31 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.26 -10.91 58.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.481 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -179.22 146.78 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.402 ' HE1' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -150.05 63.42 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.481 ' NH1' ' HB1' ' A' ' 15' ' ' ALA . 15.5 mmp_? -57.2 -171.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -79.36 79.96 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.72 -58.13 0.62 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -125.53 -169.12 1.94 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.91 0.386 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.37 -145.55 5.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.531 ' CD1' ' HG3' ' A' ' 31' ' ' ARG . 25.7 m-85 -161.93 145.89 12.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 110.822 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 13' ' ' ILE . 10.7 mt -126.19 113.28 33.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.66 113.55 20.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.53 144.47 41.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.3 t -70.77 -44.02 76.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.25 -40.62 51.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.25 136.33 34.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -88.38 39.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 m -137.94 167.21 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.531 ' HG3' ' CD1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -105.06 148.97 26.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.5 tpp -114.16 120.4 40.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.512 ' O ' ' CG ' ' A' ' 33' ' ' PHE . 1.5 p90 -78.06 121.11 23.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -120.4 162.2 19.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -104.51 155.23 19.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.64 38.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.0 m -122.6 -24.21 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -84.62 -10.5 57.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.647 HG22 ' O ' ' A' ' 39' ' ' ILE . 53.0 mt -70.87 0.43 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.729 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.9 pp -53.05 -19.53 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.729 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -50.73 -17.72 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.18 87.55 1.33 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 173.32 113.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.771 0.319 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.93 86.55 1.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.402 ' O ' ' HE1' ' A' ' 16' ' ' MET . 40.8 mt -46.45 154.79 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -150.03 150.2 31.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.629 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 39.3 mm -41.46 113.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 79.81 62.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.049 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -133.76 136.76 44.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.453 ' HG2' ' CG1' ' A' ' 78' ' ' VAL . 1.7 mt-10 -75.71 139.36 41.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.4 m -142.92 147.85 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.658 ' OE1' HD21 ' A' ' 73' ' ' LEU . 15.8 tt0 -110.99 115.7 29.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -138.45 157.07 46.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 38.1 p30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.93 0.395 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.77 170.05 22.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.26 128.31 44.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.5 pt -116.86 152.06 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.655 ' HD3' HD11 ' A' ' 40' ' ' LEU . 24.3 mmt85 40.19 72.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.459 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 49.6 mt -70.25 114.0 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -117.98 121.66 41.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.97 135.31 52.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.658 HD21 ' OE1' ' A' ' 52' ' ' GLU . 12.0 mt -105.39 144.09 28.11 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.613 0.721 . . . . 0.0 110.895 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 154.97 66.93 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.334 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -60.21 131.84 52.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.7 -40.52 2.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.427 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 97.7 m -52.15 -69.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.127 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.453 ' CG1' ' HG2' ' A' ' 50' ' ' GLU . 5.2 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.72 0.295 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -126.92 169.88 12.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.435 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -118.95 156.28 29.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -161.58 165.64 35.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.2 m -103.41 139.6 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.478 ' CD1' HG12 ' A' ' 23' ' ' ILE . 7.9 mm -72.4 99.33 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.64 -26.74 68.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.05 157.41 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.064 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.452 ' SD ' HG21 ' A' ' 13' ' ' ILE . 2.3 ptm -156.67 81.55 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -94.73 154.13 17.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -43.14 105.39 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.47 -54.99 0.78 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -153.44 -172.34 4.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.854 0.359 . . . . 0.0 110.918 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.05 -158.48 8.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CZ ' ' CE2' ' A' ' 20' ' ' PHE . 24.3 m-85 -152.29 151.78 31.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.498 HD11 ' CD1' ' A' ' 34' ' ' PHE . 8.6 mt -137.74 111.93 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -86.26 139.5 30.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.418 ' CB ' ' HB2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -79.67 158.44 27.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.3 t -64.86 -46.29 92.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -101.32 -41.85 6.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.418 ' HB2' ' CB ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -71.41 158.35 36.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.73 42.89 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 m -122.84 146.78 27.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.92 127.96 44.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 32.5 tpp -97.0 86.12 3.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.505 ' CG ' ' O ' ' A' ' 33' ' ' PHE . 2.1 p90 -56.96 121.02 8.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.498 ' CD1' HD11 ' A' ' 23' ' ' ILE . 20.1 p90 -118.76 168.73 10.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -104.01 155.17 18.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -80.65 42.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 m -124.77 -24.17 4.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.831 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -83.84 -9.41 58.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.498 HG22 ' O ' ' A' ' 39' ' ' ILE . 22.5 mt -73.43 0.4 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.69 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.5 pp -52.84 -20.46 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.69 ' N ' HD12 ' A' ' 40' ' ' LEU . 3.3 t0 -50.54 -17.85 0.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . 85.16 90.83 0.83 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.461 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 7.3 m-20 171.28 116.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.767 0.318 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.64 109.91 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.624 HD11 HG11 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -72.02 164.21 26.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -168.26 154.54 7.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 46' ' ' HIS . 30.0 mm -35.12 120.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 44.91 82.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.74 2.92 10.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.632 ' HB3' HG21 ' A' ' 78' ' ' VAL . 4.9 mt-10 54.15 106.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.624 HG11 HD11 ' A' ' 45' ' ' LEU . 33.4 m -125.99 160.15 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.782 ' HB2' HD11 ' A' ' 73' ' ' LEU . 3.0 tt0 -117.86 127.34 53.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.407 ' CB ' ' HB1' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -136.36 161.28 36.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.8 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -179.893 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.857 0.361 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -139.36 150.57 45.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.407 ' HB1' ' CB ' ' A' ' 53' ' ' PHE . . . -85.94 129.47 34.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.2 pt -112.82 163.43 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 40.88 64.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.436 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 75.2 mt -69.0 121.21 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.34 129.61 43.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 140.08 46.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.782 HD11 ' HB2' ' A' ' 52' ' ' GLU . 88.6 mt -105.9 144.29 28.6 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.61 0.719 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 168.83 20.37 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.382 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 155.41 39.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.6 55.73 6.5 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 50.5 m -162.77 -52.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.107 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.632 HG21 ' HB3' ' A' ' 50' ' ' GLU . 20.6 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.757 0.313 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -100.34 160.78 14.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.478 ' HE3' HG22 ' A' ' 78' ' ' VAL . 31.0 mtm -140.49 137.53 33.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.57 -157.16 8.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.47 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.4 m -125.51 148.27 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.345 . . . . 0.0 111.146 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.604 HD13 HG12 ' A' ' 23' ' ' ILE . 12.7 mm -85.25 98.09 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.11 -26.0 61.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.512 ' HB1' HH12 ' A' ' 17' ' ' ARG . . . -154.45 146.77 23.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.067 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.429 ' HE1' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -156.81 79.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.512 HH12 ' HB1' ' A' ' 15' ' ' ALA . 12.7 mmp_? -69.54 -172.25 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -78.68 89.07 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.87 -45.99 1.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -137.44 -176.14 4.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.425 ' CA ' ' HA ' ' A' ' 16' ' ' MET . . . -163.63 -147.16 4.97 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.464 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -159.75 152.17 21.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.604 HG12 HD13 ' A' ' 13' ' ' ILE . 40.3 mt -134.12 112.78 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -74.12 115.22 13.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.67 126.72 31.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.4 m -62.58 -32.57 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.162 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -96.26 -44.05 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.3 mtt85 -85.74 151.9 23.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.0 31.72 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.8 123.55 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -62.61 159.77 15.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.3 tpp -111.26 133.59 53.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -87.65 105.68 17.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.552 ' HB2' HD11 ' A' ' 70' ' ' ILE . 24.1 p90 -106.59 159.75 15.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -109.34 154.53 22.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.402 ' HA ' HD12 ' A' ' 39' ' ' ILE . 4.3 m-85 -82.88 39.61 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.3 t -122.83 -31.87 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -80.78 -11.14 59.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.608 HG22 ' O ' ' A' ' 39' ' ' ILE . 51.7 mt -70.62 0.33 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.81 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.5 pp -52.89 -24.77 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.972 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.81 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -45.46 -25.14 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.796 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . 100.97 91.84 2.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.427 ' CG ' ' HB3' ' A' ' 72' ' ' LYS . 7.2 m-20 170.49 113.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.342 . . . . 0.0 110.881 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.12 89.44 3.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.633 HD11 HG21 ' A' ' 70' ' ' ILE . 71.7 mt -54.74 167.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -167.33 -172.62 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.477 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 48.1 mm -64.81 115.17 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 70.39 58.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.06 119.63 30.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -56.53 145.8 26.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.4 m -152.8 154.37 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.426 ' HB2' HD21 ' A' ' 73' ' ' LEU . 44.9 tt0 -129.58 119.97 24.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.416 ' CE1' HD13 ' A' ' 23' ' ' ILE . 4.7 p90 -138.19 161.64 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 -179.881 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.887 0.375 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.498 ' CE1' ' CG2' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -134.52 170.57 15.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.72 120.81 39.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.498 ' CG2' ' CE1' ' A' ' 66' ' ' HIS . 6.3 pt -101.26 158.05 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' ILE . 1.0 OUTLIER 34.67 86.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.633 HG21 HD11 ' A' ' 45' ' ' LEU . 53.5 mt -90.95 112.93 25.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -124.24 106.27 10.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.427 ' HB3' ' CG ' ' A' ' 43' ' ' ASN . 14.3 tttt -44.34 148.96 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' A' ' 52' ' ' GLU . 8.1 mt -100.81 146.09 31.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 150.88 68.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.362 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.92 137.86 31.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.72 59.22 2.25 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.508 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 93.7 m -143.52 -47.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.855 0.36 . . . . 0.0 111.14 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.478 HG22 ' HE3' ' A' ' 10' ' ' MET . 3.1 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.789 0.328 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -112.68 161.97 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.481 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -110.68 154.63 23.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.19 160.3 33.92 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.8 m -98.06 144.9 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.654 HD13 HG12 ' A' ' 23' ' ' ILE . 6.4 mm -76.59 122.96 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.27 -34.74 12.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.95 160.05 33.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.2 mtp -155.37 41.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.09 159.38 7.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.32 96.26 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.02 -50.01 0.9 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -147.86 -179.86 7.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.85 -149.89 5.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.417 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 49.7 m-85 -155.85 139.64 16.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 110.922 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.654 HG12 HD13 ' A' ' 13' ' ' ILE . 2.9 mt -120.44 113.93 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -81.17 136.27 35.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.6 m -92.45 139.57 30.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.5 m -65.0 -34.48 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -92.35 -46.18 7.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.82 149.97 26.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -100.42 37.4 1.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.2 m -137.95 174.3 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.417 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 18.0 ptt180 -108.41 166.54 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.83 85.65 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.526 ' O ' ' CD2' ' A' ' 33' ' ' PHE . 2.8 t80 -47.04 100.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.467 ' CD1' HD11 ' A' ' 23' ' ' ILE . 42.4 p90 -101.25 164.31 11.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -111.46 155.22 23.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -82.4 39.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.26 -30.22 2.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -79.89 -12.12 59.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 39' ' ' ILE . 67.9 mt -70.71 0.4 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.759 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.8 pp -52.89 -21.82 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.759 ' N ' HD12 ' A' ' 40' ' ' LEU . 1.5 t0 -50.51 -28.13 7.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.68 93.38 2.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.434 ' CG ' ' HB2' ' A' ' 72' ' ' LYS . 3.2 m-80 170.76 112.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -76.44 85.38 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.453 HD22 HG11 ' A' ' 51' ' ' VAL . 63.3 mt -38.66 154.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 47' ' ' ILE . 1.5 m-70 -148.15 138.84 23.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.57 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 46.3 mm -35.92 110.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 75.86 71.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.078 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.34 133.35 29.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.08 132.74 48.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.453 HG11 HD22 ' A' ' 45' ' ' LEU . 31.2 m -141.36 154.93 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -117.46 128.31 54.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.692 ' CB ' ' HB1' ' A' ' 67' ' ' ALA . 3.0 p90 -144.6 156.33 44.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.467 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 51.0 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.832 0.349 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.406 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 0.3 OUTLIER -149.17 146.31 27.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.692 ' HB1' ' CB ' ' A' ' 53' ' ' PHE . . . -90.65 124.89 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.467 ' CG1' ' HB ' ' A' ' 54' ' ' THR . 1.6 pt -106.22 159.01 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.464 ' NE ' HD11 ' A' ' 40' ' ' LEU . 4.7 mmt85 36.0 79.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 79.3 mt -82.84 123.02 38.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.403 ' HB2' ' CG ' ' A' ' 41' ' ' ASP . 12.9 ttpt -136.76 115.24 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.434 ' HB2' ' CG ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -56.61 137.22 54.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.481 ' CD1' ' HG2' ' A' ' 10' ' ' MET . 37.4 mt -90.94 151.03 42.95 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.64 0.733 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 150.63 68.7 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.399 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 139.52 55.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.27 64.16 1.67 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.6 m -156.21 -38.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 111.132 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 179.856 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.757 0.313 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -100.45 149.24 23.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.86 138.17 54.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.83 178.21 36.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 m -98.09 152.58 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.125 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.539 HG21 ' HG2' ' A' ' 16' ' ' MET . 38.5 mm -80.72 121.31 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.11 -20.51 28.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.05 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.57 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -166.7 151.94 7.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.109 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.539 ' HG2' HG21 ' A' ' 13' ' ' ILE . 3.3 mmm -135.13 41.06 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.57 ' NH1' ' HB1' ' A' ' 15' ' ' ALA . 15.8 mmp_? -45.59 148.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.88 97.75 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.23 -33.16 4.45 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -154.39 168.31 27.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.898 0.38 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.58 -147.92 4.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 31' ' ' ARG . 15.0 m-85 -156.61 167.38 30.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.436 HG23 HD13 ' A' ' 13' ' ' ILE . 3.6 mt -147.27 105.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -88.22 109.46 19.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.0 172.64 5.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.2 m -92.54 -38.75 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.167 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.04 -35.3 11.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.407 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -78.55 -42.02 30.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 62.46 42.6 8.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 28' ' ' ARG . 2.0 m -139.15 148.84 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.481 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.0 ptt180 -82.49 125.18 30.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.84 94.76 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -49.62 135.04 19.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.413 ' CD2' HD11 ' A' ' 23' ' ' ILE . 30.1 p90 -153.86 155.19 35.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -95.38 155.19 16.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -81.3 41.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.82 -17.71 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.493 ' CD ' ' N ' ' A' ' 38' ' ' GLU . 0.5 OUTLIER -86.14 -9.46 56.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.559 HG22 ' O ' ' A' ' 39' ' ' ILE . 43.7 mt -74.31 0.4 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.167 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.617 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.4 pp -52.92 -15.91 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.617 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -56.27 -14.72 3.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.5 77.05 0.45 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -144.71 9.76 1.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' ASN . 3.0 mt-30 34.38 82.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.45 HD21 HG21 ' A' ' 70' ' ' ILE . 2.8 mp -61.64 173.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.479 ' CB ' ' OD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -171.95 157.18 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -43.65 135.73 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 52.23 59.49 4.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.479 ' OD2' ' CB ' ' A' ' 46' ' ' HIS . 50.7 m-20 -125.15 120.44 31.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.6 124.88 23.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.422 ' HB ' HG23 ' A' ' 70' ' ' ILE . 34.1 m -131.51 144.87 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -104.49 127.54 52.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.569 ' CB ' ' HB1' ' A' ' 67' ' ' ALA . 12.5 p90 -140.27 157.47 45.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 91.6 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.108 -179.908 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.859 0.362 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.489 ' CE1' ' CG2' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -156.66 164.82 37.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.569 ' HB1' ' CB ' ' A' ' 53' ' ' PHE . . . -96.43 116.6 29.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.489 ' CG2' ' CE1' ' A' ' 66' ' ' HIS . 9.5 pt -103.99 161.67 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' ILE . 3.3 mmt180 34.6 71.58 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.45 HG21 HD21 ' A' ' 45' ' ' LEU . 78.8 mt -71.37 119.46 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -127.01 111.05 13.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.5 156.39 3.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.2 mt -119.71 147.54 44.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.948 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 156.1 64.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 0.0 112.349 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -62.06 122.48 15.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 129.7 -55.07 0.77 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.1 m -46.2 -62.38 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.33 . . . . 0.0 111.12 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.5 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.803 0.335 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -109.77 152.46 25.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.68 158.54 31.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.96 161.21 35.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.7 m -96.38 134.64 33.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.784 0.325 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.65 HD13 HG12 ' A' ' 23' ' ' ILE . 27.5 mm -66.76 121.14 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.37 -39.31 14.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.54 164.5 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.439 ' CE ' ' HB2' ' A' ' 45' ' ' LEU . 85.9 mtp -141.47 45.38 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' MET . 4.8 mmp_? -37.47 148.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -60.96 85.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.49 -28.8 3.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.488 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -157.48 162.84 38.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.953 0.406 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.455 ' C ' ' CE1' ' A' ' 34' ' ' PHE . . . -137.38 179.38 18.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.412 ' C ' HG13 ' A' ' 23' ' ' ILE . 5.7 m-85 -119.06 161.58 20.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.65 HG12 HD13 ' A' ' 13' ' ' ILE . 21.7 mt -140.14 120.51 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.91 123.99 35.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 90.3 m -81.39 145.57 30.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.1 t -82.52 -23.52 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 27' ' ' ASP . 0.8 OUTLIER -105.76 -32.07 8.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -104.56 148.49 26.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.19 41.13 1.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 30' ' ' VAL . 30.4 m -137.62 125.11 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -61.01 161.57 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.9 ttm -134.23 73.61 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -44.16 142.34 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.455 ' CE1' ' C ' ' A' ' 21' ' ' GLY . 26.3 p90 -133.99 170.18 16.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -113.99 154.38 27.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -81.6 41.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.4 -29.48 3.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.63 -11.08 57.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.548 HG22 ' O ' ' A' ' 39' ' ' ILE . 35.4 mt -70.79 0.56 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.763 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.3 pp -52.73 -23.9 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.763 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.4 t70 -43.01 -40.45 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.07 86.8 1.39 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 171.68 134.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.748 0.309 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.07 111.84 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.595 HD11 HG11 ' A' ' 51' ' ' VAL . 3.3 mm? -56.48 -177.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.49 149.68 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 19.4 mm -47.16 115.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 74.51 53.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -119.1 135.94 54.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.6 143.26 33.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.595 HG11 HD11 ' A' ' 45' ' ' LEU . 16.5 m -148.81 142.21 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.751 ' HB2' HD11 ' A' ' 73' ' ' LEU . 1.3 tm-20 -104.6 132.95 50.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.52 150.7 45.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.3 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 -179.88 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -101.38 177.45 4.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -109.65 120.12 41.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' ARG . 7.3 pt -101.11 161.8 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.16 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER 35.12 70.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 42.7 mt -71.22 109.79 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -117.16 119.35 34.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.43 124.93 25.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.751 HD11 ' HB2' ' A' ' 52' ' ' GLU . 3.5 mt -85.99 152.63 56.47 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 147.67 63.06 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.655 2.237 . . . . 0.0 112.366 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -55.13 124.69 17.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.58 -52.43 0.73 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.4 m -41.15 -48.34 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 111.183 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.865 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.422 ' CZ ' ' OG1' ' A' ' 54' ' ' THR . 14.0 mmt180 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.78 0.324 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -111.2 147.32 35.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.6 156.29 19.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.41 162.23 31.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -98.05 142.64 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.803 0.335 . . . . 0.0 111.134 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.568 HD13 HG12 ' A' ' 23' ' ' ILE . 45.8 mm -74.53 106.25 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.13 -44.9 17.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.66 155.38 33.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.454 ' CG ' HG21 ' A' ' 13' ' ' ILE . 42.2 mtp -148.03 47.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -53.61 176.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -81.96 43.66 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.28 -48.79 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.507 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 22.0 p90 -136.46 -178.79 5.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.918 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.5 -161.89 15.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -138.08 143.42 40.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.568 HG12 HD13 ' A' ' 13' ' ' ILE . 18.4 mt -128.08 88.65 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -56.06 119.77 6.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.72 144.45 37.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.4 m -83.28 -10.69 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -101.29 -46.89 4.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -100.87 163.0 12.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.72 40.93 1.16 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.0 m -143.11 146.62 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -84.35 154.11 23.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.7 tpp -107.07 115.45 30.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.507 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -66.5 112.26 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.42 ' HB2' HD11 ' A' ' 70' ' ' ILE . 17.2 p90 -118.69 152.01 36.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -106.92 155.2 20.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -80.61 42.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.3 -27.51 3.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -80.3 -12.8 59.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.554 HG22 ' O ' ' A' ' 39' ' ' ILE . 40.7 mt -70.7 0.49 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.811 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.0 pp -52.92 -24.71 9.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.811 ' N ' HD12 ' A' ' 40' ' ' LEU . 7.1 m-20 -45.84 -37.57 6.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.88 93.92 2.22 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.504 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 170.2 98.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.48 90.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.609 HD11 HG21 ' A' ' 70' ' ' ILE . 29.9 mt -57.8 155.37 10.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -144.84 156.02 43.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.9 mm -43.73 127.05 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 61.99 59.19 1.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -127.71 137.42 52.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -67.3 139.51 57.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.6 m -143.43 144.41 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.486 ' CG ' HD21 ' A' ' 73' ' ' LEU . 3.7 tt0 -109.05 129.91 55.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 53' ' ' PHE . 2.5 p90 -148.18 150.8 34.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.422 ' OG1' ' CZ ' ' A' ' 8' ' ' ARG . 23.9 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.887 0.375 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -139.08 177.56 7.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.79 122.02 34.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.076 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.6 pt -109.21 160.22 8.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' ILE . 2.1 mmt-85 34.66 81.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.609 HG21 HD11 ' A' ' 45' ' ' LEU . 79.3 mt -76.95 115.09 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.06 114.64 19.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.428 ' NZ ' ' HA ' ' A' ' 45' ' ' LEU . 13.8 tttp -53.87 152.43 5.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.963 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.486 HD21 ' CG ' ' A' ' 52' ' ' GLU . 13.4 mt -111.18 147.48 36.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.624 0.726 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 160.42 49.78 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.266 . . . . 0.0 112.329 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.55 125.97 27.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.13 -45.99 1.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 73.8 m -51.07 -75.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.924 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.5 mtt85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.737 0.304 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -116.39 165.34 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.44 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -128.24 153.24 47.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.02 172.81 38.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.3 m -111.45 138.29 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 111.158 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.449 HD13 HG23 ' A' ' 23' ' ' ILE . 23.7 mm -67.98 142.33 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.11 -25.6 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.98 135.16 47.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.43 ' HE1' ' HB2' ' A' ' 45' ' ' LEU . 48.9 mmm -142.91 51.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.465 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 13.6 mmp_? -46.39 -85.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -160.04 51.76 0.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.505 ' HA2' ' CG ' ' A' ' 36' ' ' PHE . . . 139.28 -41.93 1.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.494 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -123.2 163.84 19.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -175.5 -125.68 0.89 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.507 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -157.74 169.22 25.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.496 HD11 ' CD1' ' A' ' 34' ' ' PHE . 3.3 mt -147.83 96.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.71 109.33 2.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 t -70.31 153.23 43.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.6 m -85.67 -30.08 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -83.69 -43.0 15.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.7 164.52 12.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.93 38.34 2.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.6 m -138.43 176.74 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.2 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -101.56 149.56 23.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -115.66 73.82 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 32' ' ' MET . 1.5 t80 -37.07 149.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.496 ' CD1' HD11 ' A' ' 23' ' ' ILE . 5.9 p90 -153.36 159.68 42.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -106.66 155.39 19.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.505 ' CG ' ' HA2' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -82.81 37.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.35 -17.87 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -92.8 -12.67 30.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.591 HG22 ' O ' ' A' ' 39' ' ' ILE . 55.5 mt -70.71 0.49 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.788 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.0 pp -52.85 -20.76 3.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.788 ' N ' HD12 ' A' ' 40' ' ' LEU . 8.4 t70 -44.96 -27.66 0.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.58 82.92 1.66 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 171.58 122.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -76.1 127.9 33.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.512 HD11 HG11 ' A' ' 51' ' ' VAL . 1.6 mm? -81.8 165.39 20.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.474 ' N ' ' OD2' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -167.44 147.37 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.876 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.63 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 44.3 mm -41.28 116.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 79.43 51.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.474 ' OD2' ' N ' ' A' ' 46' ' ' HIS . 1.8 m-20 -117.07 130.43 56.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.19 135.32 36.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.512 HG11 HD11 ' A' ' 45' ' ' LEU . 34.6 m -139.85 169.39 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.523 ' HB2' HD21 ' A' ' 73' ' ' LEU . 3.1 tt0 -132.64 127.11 34.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -138.51 150.24 46.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.7 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 -179.883 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.855 0.36 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.517 ' CE1' ' CG2' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -112.93 147.4 37.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.95 124.57 33.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.517 ' CG2' ' CE1' ' A' ' 66' ' ' HIS . 1.6 pt -110.27 161.56 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' ILE . 28.4 mmt85 34.43 77.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 69.2 mt -77.69 126.25 37.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -131.12 122.91 27.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.23 133.33 46.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 52' ' ' GLU . 11.9 mt -94.47 149.22 36.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.742 . . . . 0.0 110.931 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 154.03 68.27 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.752 2.301 . . . . 0.0 112.32 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 111.82 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.89 -44.1 1.03 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.444 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.8 m -58.9 -52.15 66.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 111.15 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.898 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.845 0.355 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -108.54 157.81 18.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.484 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 1.7 ptt? -149.15 150.14 32.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -148.72 -144.2 3.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -131.22 136.06 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 111.135 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.7 mm -66.22 114.56 3.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.56 -27.51 17.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.43 165.12 27.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.067 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.1 mtp -153.57 34.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.6 156.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.85 94.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.73 -47.4 1.02 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -155.03 -175.67 5.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.31 -132.68 1.36 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.462 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.592 ' CZ ' ' CZ ' ' A' ' 33' ' ' PHE . 8.9 m-85 -154.06 157.07 38.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 mt -136.0 106.7 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.5 112.27 17.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.53 156.12 31.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.81 -50.52 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -39.02 61.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -97.28 146.3 25.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -106.36 40.83 1.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.95 132.33 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.5 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 23.2 mtt180 -67.65 135.4 52.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.09 111.07 23.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.592 ' CZ ' ' CZ ' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -69.83 123.38 21.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.853 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -128.69 160.61 31.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -108.01 155.2 20.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.33 36.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.1 m -120.42 -28.14 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -80.28 -14.07 58.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.542 HG22 ' O ' ' A' ' 39' ' ' ILE . 34.8 mt -70.79 0.47 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.816 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.2 pp -52.8 -26.07 13.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.816 ' N ' HD12 ' A' ' 40' ' ' LEU . 3.6 m-20 -40.86 -29.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.15 90.43 2.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 170.03 105.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.727 0.298 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -64.79 95.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 mt -59.54 156.88 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -141.47 170.44 15.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.586 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 5.5 mm -62.1 116.21 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 76.73 58.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.36 150.42 45.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -81.14 131.96 35.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.484 ' O ' ' CB ' ' A' ' 10' ' ' MET . 0.8 OUTLIER -138.78 142.32 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.153 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.647 ' HB2' HD11 ' A' ' 73' ' ' LEU . 10.6 tt0 -118.03 128.53 54.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.476 ' CG ' ' HB1' ' A' ' 67' ' ' ALA . 5.5 p90 -148.23 155.22 41.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 -179.914 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.447 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 0.3 OUTLIER -140.97 145.42 35.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.476 ' HB1' ' CG ' ' A' ' 53' ' ' PHE . . . -89.61 119.27 29.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.8 pt -99.46 155.68 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER 34.77 84.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.2 mt -84.17 113.67 23.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.68 115.35 23.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.92 139.63 33.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.647 HD11 ' HB2' ' A' ' 52' ' ' GLU . 10.5 mt -97.39 148.87 35.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.613 0.72 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.38 65.11 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -48.25 149.52 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.72 65.82 2.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.5 m -150.47 -48.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.841 0.353 . . . . 0.0 111.099 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.131 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.788 0.328 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -112.41 152.04 29.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -112.29 156.47 22.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.92 160.95 34.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.495 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.0 m -96.64 145.48 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 111.177 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.44 ' CD1' HG12 ' A' ' 23' ' ' ILE . 19.6 mm -69.94 122.88 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.16 -28.68 14.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.56 158.53 41.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.435 ' SD ' HG21 ' A' ' 13' ' ' ILE . 56.5 mmm -144.67 83.83 1.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' N ' ' HD3' ' A' ' 17' ' ' ARG . 0.7 OUTLIER -97.75 150.21 21.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -61.22 94.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.14 -34.8 2.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -159.99 177.98 10.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.849 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.21 -163.34 12.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.518 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 6.4 m-85 -145.68 145.64 30.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.474 HD11 ' CD2' ' A' ' 34' ' ' PHE . 6.3 mt -135.64 96.89 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -63.39 122.53 16.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.17 129.32 39.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 p -58.94 -37.8 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -94.3 -42.14 9.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -86.6 178.63 7.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -122.6 47.7 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.9 m -140.02 146.5 24.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.518 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 4.0 mtt-85 -81.85 150.29 27.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.491 ' CE ' ' O ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -112.35 81.12 1.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -41.79 116.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.474 ' CD2' HD11 ' A' ' 23' ' ' ILE . 25.6 p90 -124.86 161.84 25.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -113.12 155.24 25.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -80.54 43.04 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.4 m -128.44 -29.94 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.512 ' OE2' HG22 ' A' ' 68' ' ' ILE . 5.0 mm-40 -81.39 -16.52 51.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 39' ' ' ILE . 42.6 mt -70.24 0.42 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.76 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.4 pp -52.63 -25.24 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.76 ' N ' HD12 ' A' ' 40' ' ' LEU . 1.3 m-20 -42.91 -29.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.453 ' O ' ' ND2' ' A' ' 43' ' ' ASN . . . 107.76 89.56 2.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 5.6 m-20 169.51 121.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -82.3 118.08 22.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.4 mp -76.06 172.04 13.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -175.16 156.36 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' HIS . 33.2 mm -37.31 118.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 62.71 70.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.44 ' CG ' ' HE3' ' A' ' 72' ' ' LYS . 19.7 m-20 -132.13 128.07 37.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -69.06 131.46 45.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.8 m -140.66 135.87 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.772 ' HB2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -104.55 129.35 52.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.455 ' CB ' ' HB1' ' A' ' 67' ' ' ALA . 1.5 p90 -136.41 154.32 50.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.5 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.119 -179.896 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.491 ' O ' ' CE ' ' A' ' 32' ' ' MET . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.798 0.332 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.46 159.7 15.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.455 ' HB1' ' CB ' ' A' ' 53' ' ' PHE . . . -97.69 113.13 24.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.512 HG22 ' OE2' ' A' ' 38' ' ' GLU . 6.2 pt -91.8 160.31 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' ILE . 50.3 mtm-85 34.34 77.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.9 mt -84.85 118.93 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -133.18 122.91 24.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.44 ' HE3' ' CG ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -56.62 150.77 14.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.772 HD21 ' HB2' ' A' ' 52' ' ' GLU . 3.5 mt -103.0 148.16 35.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.954 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 150.34 68.52 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.369 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.09 141.03 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.65 60.53 1.97 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.4 m -152.58 -46.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 0.0 111.149 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.5 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 179.905 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.724 0.297 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -98.77 154.97 17.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.42 ' HB3' HG21 ' A' ' 78' ' ' VAL . 0.6 OUTLIER -125.27 158.37 34.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.65 -168.93 29.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.451 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 m -126.59 126.89 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.446 HD13 HG12 ' A' ' 23' ' ' ILE . 35.0 mm -59.28 136.85 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -112.75 -27.12 8.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.89 154.72 42.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.0 mmm -147.05 37.69 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.44 161.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -64.21 96.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.91 -46.26 1.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -147.32 -177.89 5.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.376 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.83 -137.15 2.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CD1' ' HG3' ' A' ' 31' ' ' ARG . 29.0 m-85 -160.51 152.62 20.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.446 HG12 HD13 ' A' ' 13' ' ' ILE . 13.9 mt -135.09 100.33 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.171 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -78.51 119.83 22.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -72.34 168.57 18.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.0 t -85.45 -40.32 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.42 -34.44 14.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -94.73 130.26 41.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -89.36 40.36 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.482 ' O ' HG23 ' A' ' 30' ' ' VAL . 17.2 m -141.59 125.05 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.559 ' HG3' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -64.49 157.96 25.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 47.8 tpp -112.82 110.48 20.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.35 109.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -118.64 166.09 13.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -111.58 154.95 24.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -80.91 42.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.5 -14.87 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.45 ' HB3' ' N ' ' A' ' 69' ' ' ARG . 2.2 mm-40 -90.54 -13.79 33.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 39' ' ' ILE . 22.5 mt -72.6 0.46 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.698 HD12 ' N ' ' A' ' 41' ' ' ASP . 1.5 pp -52.85 -15.94 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.698 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -50.9 -30.07 13.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.02 89.65 2.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 171.72 130.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -79.09 73.3 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.659 ' CD1' HG21 ' A' ' 70' ' ' ILE . 6.1 mt -53.06 175.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.55 -175.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' ALA . 35.7 mm -44.4 127.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ILE . . . 35.44 88.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -133.21 13.73 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 54.68 107.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.469 HG11 HD13 ' A' ' 45' ' ' LEU . 1.5 m -128.44 152.34 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.652 ' HB2' HD21 ' A' ' 73' ' ' LEU . 10.1 tt0 -119.5 116.69 26.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 53' ' ' PHE . 2.4 p90 -127.43 161.15 29.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.889 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.505 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 0.5 OUTLIER -149.41 138.6 21.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.42 124.34 32.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.441 HG22 ' OE2' ' A' ' 38' ' ' GLU . 1.4 pp -119.83 165.53 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.45 ' N ' ' HB3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER 34.93 73.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.659 HG21 ' CD1' ' A' ' 45' ' ' LEU . 48.1 mt -69.14 126.7 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -127.34 119.07 25.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.28 145.42 55.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.652 HD21 ' HB2' ' A' ' 52' ' ' GLU . 6.1 mt -114.56 148.06 39.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.588 0.708 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.16 64.66 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.91 142.29 46.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.68 -36.78 4.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.8 m -55.91 -66.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.859 0.362 . . . . 0.0 111.151 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.42 HG21 ' HB3' ' A' ' 10' ' ' MET . 15.9 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -110.96 157.75 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -120.02 158.51 26.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.33 175.35 40.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 m -118.16 121.31 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 111.154 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.468 ' CD1' HG12 ' A' ' 23' ' ' ILE . 16.4 mm -48.51 119.4 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.52 -27.03 21.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.428 ' O ' ' CG2' ' A' ' 13' ' ' ILE . . . -146.63 166.77 25.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.44 ' HG3' HD13 ' A' ' 47' ' ' ILE . 29.3 mtp -154.33 53.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.427 ' CZ ' ' H ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -72.42 157.8 36.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.34 106.61 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.65 -43.34 1.36 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.54 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -152.52 -174.65 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.932 0.396 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.549 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -157.42 -161.43 10.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.478 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 21' ' ' GLY . 19.9 m-85 -151.67 153.93 35.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 13' ' ' ILE . 14.9 mt -134.31 120.14 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.92 108.12 19.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.08 149.85 8.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.79 -18.19 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.94 -42.29 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -79.04 -179.49 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -124.3 5.68 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.55 147.69 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 -76.74 162.42 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.8 ttm -122.49 101.49 7.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -54.17 136.57 42.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -145.79 149.31 34.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -91.12 155.19 18.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.468 ' CD1' HD12 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -83.83 35.61 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.47 -21.35 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -80.38 -3.54 50.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.576 HG22 ' O ' ' A' ' 39' ' ' ILE . 46.2 mt -77.05 0.33 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.635 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.6 pp -52.86 -19.26 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.635 ' N ' HD12 ' A' ' 40' ' ' LEU . 1.2 t0 -51.38 -19.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.87 80.98 1.5 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 172.68 107.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.774 0.321 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -69.52 95.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.505 HD11 HG21 ' A' ' 70' ' ' ILE . 45.2 mt -45.07 158.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -150.69 157.13 42.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.44 HD13 ' HG3' ' A' ' 16' ' ' MET . 34.8 mm -50.16 123.76 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 59.88 63.59 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.069 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.94 125.38 33.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -55.99 142.81 34.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -147.63 144.42 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.488 ' HB2' HD21 ' A' ' 73' ' ' LEU . 3.0 tt0 -115.62 128.98 56.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.44 ' HE2' HG21 ' A' ' 23' ' ' ILE . 1.2 p90 -140.81 149.43 42.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.4 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 -179.927 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.836 0.35 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -141.04 173.36 11.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.72 113.45 26.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' ARG . 4.8 pt -105.46 169.16 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' ILE . 23.0 mmt180 36.28 60.42 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.505 HG21 HD11 ' A' ' 45' ' ' LEU . 64.7 mt -67.02 117.58 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -126.57 129.61 48.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 146.38 54.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' A' ' 52' ' ' GLU . 79.0 mt -106.45 147.12 34.36 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 159.83 52.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.24 132.45 46.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.74 -49.59 0.84 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.9 m -47.21 -67.97 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.846 0.355 . . . . 0.0 111.144 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.885 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.97 -55.7 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.882 0.373 . . . . 0.0 110.888 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 m -112.97 153.04 28.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.34 121.5 6.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -116.56 114.45 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 p -125.69 155.94 40.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.47 75.49 1.3 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 -114.74 138.96 50.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.733 0.301 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -110.8 148.78 31.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.458 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -113.54 153.3 29.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.86 163.55 35.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.2 m -99.0 140.4 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.552 HD13 HG12 ' A' ' 23' ' ' ILE . 23.6 mm -69.39 123.83 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.69 -18.17 17.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.96 149.77 16.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.52 ' HG2' HG21 ' A' ' 13' ' ' ILE . 37.0 mmm -136.09 41.05 2.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' MET . 4.7 mmp_? -37.53 150.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -61.23 90.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.3 -26.6 4.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -153.53 -166.15 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.924 0.393 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -173.81 -153.24 9.57 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -155.17 149.13 25.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.576 HG21 ' HE2' ' A' ' 53' ' ' PHE . 14.9 mt -129.91 99.26 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -71.08 111.44 6.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.88 155.36 36.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.543 HG12 ' CD2' ' A' ' 80' ' ' PHE . 10.5 m -79.69 -29.81 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -95.69 -41.12 9.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -92.32 149.4 21.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -101.18 39.86 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 m -141.4 146.61 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -77.61 162.61 26.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.9 tpp -121.44 86.78 2.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -41.25 122.66 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -129.36 161.17 30.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -110.53 155.15 22.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -80.77 42.71 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.3 -25.66 3.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.4 -14.84 42.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.619 HG22 ' O ' ' A' ' 39' ' ' ILE . 72.1 mt -72.03 0.41 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.759 HD12 ' N ' ' A' ' 41' ' ' ASP . 1.8 pp -53.1 -17.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.759 ' N ' HD12 ' A' ' 40' ' ' LEU . 15.1 t70 -44.14 -37.88 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.449 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . 113.63 82.95 1.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.448 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 11.0 m-20 172.29 118.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -77.27 84.51 3.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.419 HD11 HG21 ' A' ' 70' ' ' ILE . 82.9 mt -45.42 168.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.1 167.58 22.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.597 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 49.7 mm -51.36 113.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.165 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 78.2 53.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.064 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -122.17 119.34 30.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.88 139.39 58.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.0 m -143.42 158.17 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -120.83 131.62 54.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.576 ' HE2' HG21 ' A' ' 23' ' ' ILE . 1.6 p90 -145.52 143.88 30.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 99.0 m -72.97 -44.8 60.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.622 ' O ' HG13 ' A' ' 56' ' ' VAL . 73.1 t 60.07 144.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.622 HG13 ' O ' ' A' ' 55' ' ' VAL . 15.8 m -161.88 144.46 8.89 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.64 0.733 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.402 ' C ' ' OD1' ' A' ' 58' ' ' ASP . 53.6 Cg_endo -69.78 2.55 3.45 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.242 . . . . 0.0 112.356 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 0.3 OUTLIER 70.49 168.63 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.38 -50.95 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -58.44 6.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 62' ' ' ALA . 6.0 m -70.9 -8.32 52.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' SER . . . 35.34 34.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.061 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -170.88 172.49 5.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 61.12 141.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.43 124.49 42.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.442 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 0.4 OUTLIER -119.19 148.07 43.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.67 114.59 24.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -94.36 160.02 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' ILE . 10.1 mmt180 34.58 80.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.419 HG21 HD11 ' A' ' 45' ' ' LEU . 74.7 mt -81.39 117.67 27.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -120.42 116.82 26.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -65.86 123.83 20.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.458 ' CD1' ' HG2' ' A' ' 10' ' ' MET . 63.8 mt -86.41 144.06 37.42 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.62 0.724 . . . . 0.0 110.977 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 168.67 20.83 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -75.29 116.83 16.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.43 -44.91 1.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.4 m -59.84 -59.58 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 111.128 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 t -88.06 160.86 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.42 131.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.814 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.543 ' CD2' HG12 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -166.77 143.97 4.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -74.93 131.42 40.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.9 157.74 43.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.824 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.37 162.12 15.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 67.1 m -119.51 153.05 35.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -122.57 83.39 0.36 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 105.77 1.55 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' SER . 66.7 p -177.6 94.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 87' ' ' SER . 1.1 m -34.61 139.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -132.8 -45.1 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.384 . . . . 0.0 110.88 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.4 m -75.41 148.42 39.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.97 133.96 5.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 t -131.46 144.62 51.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.847 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 t -140.99 -38.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.46 106.58 0.71 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.2 120.74 40.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -101.96 156.49 17.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.53 158.06 33.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.63 168.98 39.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.3 m -107.49 141.38 22.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.818 0.342 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.718 HD13 HG12 ' A' ' 23' ' ' ILE . 29.4 mm -76.17 89.71 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.81 -26.37 67.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.419 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -161.57 151.84 17.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -154.02 63.39 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.429 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 16.2 mmp_? -60.61 179.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.85 86.63 5.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.59 -31.27 2.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -155.5 -175.32 5.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.432 ' HA3' ' CZ ' ' A' ' 34' ' ' PHE . . . -163.05 -163.54 15.94 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.504 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -155.72 146.85 22.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.718 HG12 HD13 ' A' ' 13' ' ' ILE . 4.2 mt -132.2 104.56 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -58.99 111.58 1.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.0 m -77.98 122.21 25.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.549 HG22 ' CE2' ' A' ' 80' ' ' PHE . 17.2 t -63.4 -31.46 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.86 -43.62 44.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -97.68 179.75 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -101.72 -15.88 16.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.6 m -107.39 152.11 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 mtt85 -68.36 -171.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.588 ' HE3' HG13 ' A' ' 55' ' ' VAL . 35.6 tpp -135.55 97.52 3.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -47.31 131.02 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.462 ' CD2' HD11 ' A' ' 23' ' ' ILE . 17.0 p90 -136.05 146.45 47.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -97.2 155.18 16.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -80.66 42.82 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.0 m -125.34 -25.74 3.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -82.73 -13.04 57.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.563 HG22 ' O ' ' A' ' 39' ' ' ILE . 47.2 mt -70.74 0.32 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.711 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.6 pp -52.96 -23.22 6.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.711 ' N ' HD12 ' A' ' 40' ' ' LEU . 3.3 t0 -43.15 -31.53 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' ND2' ' A' ' 43' ' ' ASN . . . 105.71 82.11 1.52 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 5.1 m-20 171.17 117.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.321 . . . . 0.0 110.912 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -76.38 101.65 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.9 mt -52.16 159.67 0.89 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.62 150.89 40.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.588 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 45.8 mm -48.23 107.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 76.66 63.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.11 135.74 47.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.465 ' HG2' ' CG1' ' A' ' 78' ' ' VAL . 2.0 mt-10 -62.7 138.13 58.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.9 m -138.37 156.7 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.162 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.785 ' HB2' HD21 ' A' ' 73' ' ' LEU . 7.4 tt0 -118.37 128.78 54.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.681 ' HE2' HG21 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -147.87 156.36 42.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.8 m -70.97 -57.71 4.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.176 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.588 HG13 ' HE3' ' A' ' 32' ' ' MET . 25.3 t 55.23 96.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.01 153.16 37.92 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.647 0.737 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 112.5 3.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.266 . . . . 0.0 112.303 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -102.61 165.24 11.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -85.07 0.64 50.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 mt -42.4 -31.06 0.38 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.592 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 8.2 m 65.97 160.56 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 61' ' ' SER . . . 77.6 -56.98 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -95.6 -174.31 3.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.88 -159.39 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -49.21 144.41 5.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.528 ' CE1' ' CG2' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -134.28 147.47 50.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.33 118.45 29.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.528 ' CG2' ' CE1' ' A' ' 66' ' ' HIS . 3.0 pt -109.64 160.01 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' ILE . 26.2 mmm-85 36.27 77.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.458 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 89.3 mt -75.45 125.24 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -126.83 113.81 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -63.52 125.05 22.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.785 HD21 ' HB2' ' A' ' 52' ' ' GLU . 1.5 mt -99.88 149.81 36.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 159.94 51.54 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.619 2.212 . . . . 0.0 112.375 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.07 118.85 14.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 135.3 -20.26 3.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 54.7 m -71.45 -77.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 111.171 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.592 HG22 ' N ' ' A' ' 79' ' ' SER . 14.6 p -93.7 165.05 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.592 ' N ' HG22 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -178.56 171.21 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.549 ' CE2' HG22 ' A' ' 26' ' ' VAL . 7.6 m-85 -114.68 36.29 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 55.73 82.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.7 119.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -86.52 122.63 30.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.37 169.25 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -156.29 146.43 13.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 149.8 67.09 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.8 p -168.16 107.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 t -173.36 -51.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.9 p -167.0 146.1 5.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.819 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -162.0 165.93 26.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.58 55.4 0.57 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -142.43 84.24 1.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.77 93.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.846 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.57 65.88 0.54 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -94.64 139.74 30.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -124.11 150.69 44.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.448 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.88 156.9 24.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.919 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.38 -175.45 33.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.676 HG21 ' CZ ' ' A' ' 80' ' ' PHE . 5.4 m -121.95 128.16 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.17 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.401 ' CD1' HG12 ' A' ' 23' ' ' ILE . 8.1 mm -61.25 85.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.22 -18.64 64.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.45 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -167.07 149.55 6.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.28 57.77 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.45 ' NH1' ' HB1' ' A' ' 15' ' ' ALA . 14.7 mmp_? -55.18 169.43 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.24 90.05 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.12 -36.63 2.07 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.442 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -153.18 -177.62 6.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.929 0.395 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.67 -170.34 33.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.519 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -139.78 159.0 43.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.479 HD11 ' CD1' ' A' ' 34' ' ' PHE . 7.7 mt -140.68 107.47 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -79.36 120.81 24.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -61.04 149.72 36.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.0 m -71.4 -40.65 73.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.42 -44.77 12.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.6 172.41 8.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.84 24.85 11.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.2 m -99.06 155.32 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.85 139.3 36.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.9 ttm -107.85 86.37 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -48.34 131.57 16.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.479 ' CD1' HD11 ' A' ' 23' ' ' ILE . 42.5 p90 -135.91 164.5 27.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -109.78 155.24 21.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -80.81 42.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.9 -24.41 4.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -85.3 -11.14 55.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 39' ' ' ILE . 57.4 mt -71.61 0.43 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.807 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.7 pp -52.97 -23.68 7.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.807 ' N ' HD12 ' A' ' 40' ' ' LEU . 2.4 t0 -44.39 -37.89 3.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.0 90.08 2.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 171.13 114.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -70.17 92.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.8 mt -55.07 160.65 1.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -155.83 167.18 31.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.667 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 46.1 mm -56.64 111.54 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 83.34 49.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -111.15 134.24 52.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.662 ' HB3' HG21 ' A' ' 78' ' ' VAL . 2.5 mt-10 -85.78 117.85 24.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.4 m -127.69 165.1 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.43 ' HB2' HD21 ' A' ' 73' ' ' LEU . 6.0 tt0 -122.09 131.99 54.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -145.62 158.92 43.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 95.4 m -91.05 120.89 32.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.117 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.723 HG13 ' HB2' ' A' ' 65' ' ' ASN . 86.5 t -111.14 119.75 60.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 m -137.38 144.29 44.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 127.7 15.0 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.23 157.23 31.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -78.59 -46.63 18.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 59' ' ' MET . 8.1 mt -37.15 -55.36 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.4 p -175.62 40.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . 60.14 35.53 21.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -45.56 162.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -47.58 97.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.723 ' HB2' HG13 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -34.44 147.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.11 160.22 19.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.62 135.82 48.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 69' ' ' ARG . 8.0 pt -124.62 157.97 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 68' ' ' ILE . 7.5 mmt85 37.22 81.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.0 mt -78.87 114.44 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.6 125.54 45.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -65.68 148.43 51.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.448 ' CD1' ' HG2' ' A' ' 10' ' ' MET . 15.8 mt -107.39 146.86 34.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.552 0.691 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 149.57 67.08 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.234 . . . . 0.0 112.363 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 147.99 20.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.08 53.51 3.12 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 52.7 m -165.06 -65.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 111.153 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.662 HG21 ' HB3' ' A' ' 50' ' ' GLU . 2.9 t -72.56 153.5 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -158.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.676 ' CZ ' HG21 ' A' ' 12' ' ' VAL . 57.3 m-85 61.61 134.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.93 165.74 23.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 66.2 m -105.67 -43.72 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -100.27 152.28 20.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 t 67.25 37.15 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -90.44 -158.02 34.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.475 ' O ' ' CB ' ' A' ' 87' ' ' SER . 53.6 Cg_endo -69.75 2.69 3.3 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 86' ' ' PRO . 1.1 t 81.25 -56.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.01 121.16 5.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -125.84 99.79 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.51 105.35 10.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.21 103.27 2.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.35 -53.23 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.359 . . . . 0.0 110.85 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -105.89 -56.14 2.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.45 145.34 4.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -115.41 114.9 25.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 0.0 110.817 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.453 ' O ' ' CE1' ' A' ' 53' ' ' PHE . 3.5 mm-40 -104.14 148.5 26.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.552 ' HB3' HG21 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -104.36 152.27 22.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.35 156.27 26.85 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.511 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 m -97.72 138.96 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.8 mm -66.79 133.02 31.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.26 -20.84 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.445 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -153.8 168.65 25.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.8 mtp -159.78 44.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' NH1' ' HB1' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -56.12 164.75 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.02 89.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.68 -37.89 1.68 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -157.65 -166.67 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.66 -162.77 21.45 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.441 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CE1' ' HD2' ' A' ' 31' ' ' ARG . 15.2 m-85 -139.94 155.44 47.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.4 mt -140.87 111.33 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -88.89 100.84 13.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.1 m -65.82 169.86 6.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.501 HG22 ' CD1' ' A' ' 80' ' ' PHE . 66.0 t -81.65 -53.02 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -34.4 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -101.02 130.27 47.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.02 34.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.6 163.51 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HD2' ' CE1' ' A' ' 22' ' ' PHE . 14.2 ptt180 -90.1 141.57 28.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 8.0 tpp -105.77 93.27 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -51.25 113.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -119.97 157.65 28.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -105.78 155.01 19.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -81.72 41.16 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -122.89 -21.87 5.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' N ' ' OE1' ' A' ' 38' ' ' GLU . 0.4 OUTLIER -88.63 -10.9 47.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.519 HG22 ' O ' ' A' ' 39' ' ' ILE . 16.4 mt -71.14 0.36 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.708 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.2 pp -52.89 -20.73 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.708 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -41.32 -38.49 1.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.59 82.36 1.12 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 173.12 149.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.764 0.316 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.96 106.32 17.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.33 170.29 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -170.01 146.45 3.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.471 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 12.8 mm -34.12 116.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 70.21 62.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.434 ' OD2' ' CE ' ' A' ' 72' ' ' LYS . 2.4 m-20 -123.98 131.42 53.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -68.63 131.46 45.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.8 m -141.25 141.23 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' HB2' HD11 ' A' ' 73' ' ' LEU . 15.6 tt0 -110.83 128.48 55.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.453 ' CE1' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -136.14 154.12 51.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 47.2 m -77.33 -54.43 6.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.584 ' O ' HG13 ' A' ' 56' ' ' VAL . 98.1 t 63.81 130.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.178 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 55' ' ' VAL . 3.0 m -160.2 148.67 13.42 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.609 0.718 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 105.63 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.42 ' OD1' HG23 ' A' ' 56' ' ' VAL . 1.6 m-20 -132.86 165.37 24.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.1 38.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.7 mt -97.18 -53.84 3.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.566 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 2.8 m -96.67 34.9 1.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 61' ' ' SER . . . 76.32 -64.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.067 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 175.9 40.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.964 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -126.1 19.15 7.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 58.05 163.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -143.88 174.9 10.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.81 135.63 53.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.2 pt -124.59 154.02 31.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 68' ' ' ILE . 1.9 mmm180 36.88 69.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 40.6 mt -68.42 110.06 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.24 108.71 20.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.434 ' CE ' ' OD2' ' A' ' 49' ' ' ASP . 11.7 tttm -66.65 108.9 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 52' ' ' GLU . 14.9 mt -73.15 143.81 83.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.583 0.706 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 147.91 64.19 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.66 2.24 . . . . 0.0 112.391 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -48.25 138.93 9.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.89 61.24 1.61 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.412 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.4 m -148.4 -50.77 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.372 . . . . 0.0 111.119 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.552 HG21 ' HB3' ' A' ' 10' ' ' MET . 25.7 t -113.56 148.88 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.31 146.97 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.501 ' CD1' HG22 ' A' ' 26' ' ' VAL . 3.3 p90 -169.97 -49.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -83.71 111.34 19.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.15 127.5 14.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.62 138.63 58.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.58 44.01 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -135.85 83.44 0.27 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -173.72 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.76 127.84 53.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -118.41 -45.65 2.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.9 80.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -120.11 122.79 41.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.0 -64.42 0.42 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -128.12 93.53 3.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -131.44 141.04 49.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.96 78.29 0.3 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.445 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -107.08 128.2 54.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.838 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -118.82 149.53 41.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -113.4 151.39 31.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.38 170.84 38.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.4 m -105.07 143.79 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 0.0 111.161 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.7 mm -72.02 114.84 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.65 -28.97 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.38 155.27 38.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.5 mmm -146.75 37.1 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.42 ' HE ' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -50.83 163.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.6 105.55 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.06 -27.69 6.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -175.01 171.56 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 0.0 110.848 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -144.96 -152.2 5.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.422 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 16.8 m-85 -148.28 148.7 30.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.534 HG21 ' HE2' ' A' ' 53' ' ' PHE . 6.8 mt -132.03 91.69 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.04 110.31 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -73.87 149.54 41.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.629 HG12 ' CE2' ' A' ' 80' ' ' PHE . 34.9 m -90.29 -12.74 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.117 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.82 -42.03 8.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -96.53 -177.55 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -105.0 -7.55 19.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.6 m -109.0 170.18 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.422 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -100.01 171.31 7.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.421 ' O ' HD12 ' A' ' 23' ' ' ILE . 39.2 tpp -123.44 98.35 5.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -65.97 129.23 39.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.527 ' CD1' HD11 ' A' ' 23' ' ' ILE . 5.4 p90 -116.36 170.58 8.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -108.81 155.18 21.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -82.05 42.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.5 m -127.79 -30.33 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -81.57 -13.74 57.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.588 HG22 ' O ' ' A' ' 39' ' ' ILE . 52.3 mt -71.41 0.42 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.789 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.5 pp -52.97 -21.88 4.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.789 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -41.66 -39.91 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.794 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.49 83.06 1.31 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.529 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 176.34 115.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -67.7 92.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.469 HD11 HG21 ' A' ' 70' ' ' ILE . 68.4 mt -56.23 160.79 2.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -156.09 168.27 27.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.0 mm -55.09 141.32 11.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.51 48.8 19.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -112.35 140.61 46.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -86.3 135.38 33.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 28.9 m -149.42 152.45 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.117 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.872 ' HB2' HD21 ' A' ' 73' ' ' LEU . 4.2 tt0 -118.28 133.36 55.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.534 ' HE2' HG21 ' A' ' 23' ' ' ILE . 13.1 p90 -146.69 157.76 43.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.5 m -90.43 138.35 31.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.68 HG13 ' CB ' ' A' ' 65' ' ' ASN . 95.2 t -110.4 121.05 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.9 m -142.7 144.31 29.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.637 0.732 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 58' ' ' ASP . 53.1 Cg_endo -69.77 107.9 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.298 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' PRO . 13.5 m-20 -37.31 145.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -5.57 39.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -104.88 -40.94 5.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.2 p -130.17 106.05 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -42.63 -41.29 3.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -83.73 160.57 21.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 73.49 130.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.68 ' CB ' HG13 ' A' ' 55' ' ' VAL . 58.8 m-80 -127.55 155.91 43.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.03 157.07 29.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HB1' ' CB ' ' A' ' 53' ' ' PHE . . . -98.28 116.44 30.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 69' ' ' ARG . 5.4 pt -96.9 155.62 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' ILE . 2.4 mmm180 34.81 83.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.469 HG21 HD11 ' A' ' 45' ' ' LEU . 96.2 mt -81.01 117.49 27.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -119.55 146.01 45.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.71 123.43 29.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.872 HD21 ' HB2' ' A' ' 52' ' ' GLU . 10.8 mt -80.02 148.79 68.82 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 168.16 22.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.49 145.95 50.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.9 49.03 30.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 42.6 m -125.99 -48.12 1.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.844 0.354 . . . . 0.0 111.169 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.6 t -102.61 155.01 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.28 170.38 11.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.629 ' CE2' HG12 ' A' ' 26' ' ' VAL . 25.1 m-85 -121.38 126.07 48.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.0 -52.44 2.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.17 122.27 31.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -111.84 112.04 23.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.0 p -129.1 142.08 51.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.81 171.77 42.95 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.512 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 88.66 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.324 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.58 133.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.6 m -52.78 130.06 31.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.808 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.5 t -155.4 86.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -104.7 167.53 9.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.54 81.22 0.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -145.34 101.55 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.04 108.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.97 119.88 5.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -102.15 129.41 48.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.803 0.335 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.1 153.9 19.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.0 mtm -151.23 137.07 18.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.8 -152.11 6.32 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.8 m -122.04 147.73 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.764 0.316 . . . . 0.0 111.122 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.702 HD13 HG12 ' A' ' 23' ' ' ILE . 29.5 mm -79.29 123.23 35.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.45 -43.11 12.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.97 163.26 35.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 mmm -139.47 39.05 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 6.8 mmp_? -39.87 148.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.07 90.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.02 -28.05 3.38 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 17' ' ' ARG . 2.7 p90 -159.02 170.46 22.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.383 . . . . 0.0 110.911 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.37 -157.99 7.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -153.32 148.32 26.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.702 HG12 HD13 ' A' ' 13' ' ' ILE . 9.4 mt -133.9 108.34 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -81.71 121.53 26.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.96 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.2 t -93.06 142.17 27.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.608 HG22 ' CE2' ' A' ' 80' ' ' PHE . 96.2 t -68.4 -42.66 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.05 -42.85 31.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -98.0 124.17 42.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -82.76 43.01 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.7 m -141.74 141.4 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -79.3 153.39 29.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.6 tpp -117.6 91.65 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 33' ' ' PHE . 1.9 p90 -58.42 120.14 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -115.27 170.06 8.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -113.26 154.06 27.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -81.79 41.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.2 -27.05 3.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -82.86 -9.84 59.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.587 HG22 ' O ' ' A' ' 39' ' ' ILE . 64.2 mt -71.78 0.31 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.818 HD12 ' N ' ' A' ' 41' ' ' ASP . 3.3 pp -53.0 -25.75 13.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.818 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -49.92 -32.1 13.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.89 94.06 2.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.524 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 170.66 101.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -63.1 86.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.677 HD11 HG21 ' A' ' 70' ' ' ILE . 32.3 mt -49.67 161.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -165.6 154.02 11.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' HIS . 38.0 mm -35.92 107.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 61.31 84.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.98 2.68 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 61.97 116.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.484 HG11 HD22 ' A' ' 45' ' ' LEU . 34.3 m -135.97 153.24 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.757 ' HB2' HD21 ' A' ' 73' ' ' LEU . 1.6 tt0 -122.69 126.36 47.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CE2' HD13 ' A' ' 23' ' ' ILE . 7.7 p90 -142.98 160.6 40.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.9 m -97.64 129.72 44.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.169 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.666 HG13 ' HB2' ' A' ' 65' ' ' ASN . 79.4 t -114.68 101.19 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.4 m -131.47 144.6 54.08 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 116.42 4.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.736 2.291 . . . . 0.0 112.348 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -98.52 148.59 23.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.18 36.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.535 HD12 ' C ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -103.53 -30.75 10.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.62 176.52 8.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.25 64.28 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 71.31 81.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.44 84.2 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.666 ' HB2' HG13 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -59.86 132.0 52.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.467 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 0.5 OUTLIER -132.34 144.68 50.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.428 ' HB1' ' CG ' ' A' ' 53' ' ' PHE . . . -86.24 114.18 22.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.1 pt -100.53 160.69 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.506 ' HE ' HD11 ' A' ' 40' ' ' LEU . 2.0 mmt85 35.06 90.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.677 HG21 HD11 ' A' ' 45' ' ' LEU . 70.2 mt -87.32 114.85 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -126.62 106.99 9.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.56 144.16 6.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.757 HD21 ' HB2' ' A' ' 52' ' ' GLU . 3.2 mt -101.68 147.6 34.08 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.594 0.712 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 169.2 19.5 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.89 140.56 53.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.46 63.02 1.08 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 42.1 m -159.87 -60.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 111.132 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.7 t -101.36 150.88 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.67 172.1 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.608 ' CE2' HG22 ' A' ' 26' ' ' VAL . 77.3 m-85 -116.43 -45.95 2.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -175.71 120.95 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.84 90.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -57.57 165.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.1 m -154.6 93.97 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -37.33 -64.67 0.68 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 158.1 58.09 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.679 2.252 . . . . 0.0 112.375 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -166.35 93.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.6 m 54.24 168.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.507 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.8 153.55 19.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.839 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 p -175.38 163.56 3.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.18 -122.23 0.89 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t 64.85 101.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -148.46 -46.81 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.9 100.68 0.18 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.62 143.1 39.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -115.55 154.18 29.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.3 mtm -131.0 137.27 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.76 -142.02 3.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.6 142.85 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 111.082 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.695 HD13 HG12 ' A' ' 23' ' ' ILE . 24.9 mm -68.08 140.93 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.151 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.16 -34.74 6.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.433 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -149.18 155.33 40.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 38.6 mmm -135.27 42.85 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.433 ' NH1' ' HB1' ' A' ' 15' ' ' ALA . 17.0 mmp_? -42.28 148.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.27 91.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.54 -27.54 4.16 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -158.39 176.86 11.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -152.95 -157.31 7.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -154.3 149.96 27.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.695 HG12 HD13 ' A' ' 13' ' ' ILE . 7.0 mt -131.11 112.31 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -81.6 120.47 25.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 m -78.49 151.0 32.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.8 m -72.25 -30.05 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -107.91 -43.85 4.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -79.03 128.16 32.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.87 33.67 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.3 m -135.23 139.41 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.09 156.73 24.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.4 tpp -114.8 90.56 3.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.545 ' CD2' ' O ' ' A' ' 33' ' ' PHE . 2.8 t80 -52.72 100.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -99.68 163.65 12.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.01 155.19 23.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.799 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -81.64 41.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.39 -25.66 3.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -86.17 -11.17 53.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 39' ' ' ILE . 39.7 mt -72.51 0.41 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.816 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.3 pp -52.94 -23.84 8.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.816 ' N ' HD12 ' A' ' 40' ' ' LEU . 7.5 t70 -41.02 -35.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' O ' ' ND2' ' A' ' 43' ' ' ASN . . . 109.41 86.13 1.73 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.494 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 5.5 m-20 170.54 117.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.733 0.301 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -74.62 98.2 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.4 mt -56.31 163.41 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -159.84 155.91 26.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.444 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 46.7 mm -44.74 121.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 69.21 50.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -110.42 137.98 47.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -79.08 123.0 26.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.1 m -138.01 161.7 32.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.492 ' HB2' HD21 ' A' ' 73' ' ' LEU . 10.8 tt0 -132.87 122.91 25.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.48 ' CE2' HD13 ' A' ' 23' ' ' ILE . 7.7 p90 -132.55 157.34 44.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.2 m -88.38 132.2 34.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.0 t -108.31 116.27 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.4 m -150.75 144.44 17.28 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.64 0.733 . . . . 0.0 111.083 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 153.42 68.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.634 2.223 . . . . 0.0 112.349 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -117.97 163.56 16.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -75.73 -13.56 60.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.35 -44.76 96.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 m -142.8 171.72 13.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.23 -42.53 18.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.2 84.48 2.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -172.0 107.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -101.98 -177.98 3.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.432 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 0.3 OUTLIER -154.92 147.55 24.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.43 120.94 33.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.6 pt -112.02 156.97 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 38.49 78.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.414 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 93.9 mt -78.07 124.14 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -123.75 151.15 43.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' HB2' ' CB ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -93.3 127.33 38.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 52' ' ' GLU . 9.7 mt -84.67 144.05 41.91 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.894 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 156.77 62.32 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.687 2.258 . . . . 0.0 112.278 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -58.11 139.38 54.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.01 60.44 1.67 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 95.1 m -150.13 -57.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.347 . . . . 0.0 111.116 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -102.19 152.99 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.99 176.8 2.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -120.84 172.88 7.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -58.14 9.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.8 119.79 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -76.48 125.22 28.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.4 t -62.54 157.01 21.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.14 146.2 5.32 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.82 28.88 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.33 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.6 p -143.33 136.12 27.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.0 p -124.86 120.69 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.9 m -125.27 116.67 22.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.91 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 m -155.39 109.88 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.6 -51.02 0.48 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.65 -56.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.13 -74.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.35 47.03 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -86.65 160.55 18.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.753 0.311 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -134.76 154.54 51.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.53 152.37 26.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.87 156.4 28.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.2 m -100.57 136.35 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 111.103 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.414 ' CD1' HG12 ' A' ' 23' ' ' ILE . 17.9 mm -65.62 120.88 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.22 -12.29 26.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.1 160.56 18.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 90.0 mtp -142.32 39.84 1.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 mmp_? -40.11 157.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -67.6 85.43 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.29 -38.59 1.78 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.664 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 15.3 p90 -153.67 171.2 19.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.903 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.58 -159.32 8.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -137.76 157.51 46.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.522 HD11 ' CD1' ' A' ' 34' ' ' PHE . 4.5 mt -140.77 112.82 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -79.21 84.77 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -53.54 146.03 13.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.659 HG22 ' CG ' ' A' ' 80' ' ' PHE . 78.5 t -74.45 -32.98 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -86.29 -40.5 15.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.492 ' HB3' HG22 ' A' ' 30' ' ' VAL . 11.2 mtt85 -105.91 141.19 37.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.65 28.59 2.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.492 HG22 ' HB3' ' A' ' 28' ' ' ARG . 16.0 m -122.88 136.38 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -59.62 139.38 57.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.51 ' SD ' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -101.02 85.91 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.664 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -45.58 113.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.522 ' CD1' HD11 ' A' ' 23' ' ' ILE . 34.3 p90 -129.03 155.13 45.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.834 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -107.84 155.16 20.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -80.95 42.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.02 -23.06 4.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.7 -14.32 40.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.586 HD13 HD22 ' A' ' 45' ' ' LEU . 38.3 mt -70.63 0.39 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.771 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.2 pp -52.92 -22.56 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.771 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -41.69 -26.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.832 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.26 91.64 2.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 170.25 139.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -95.12 92.62 6.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.676 HD12 ' HG3' ' A' ' 72' ' ' LYS . 0.9 OUTLIER -48.06 176.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.47 149.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.532 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 16.3 mm -41.38 116.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 73.75 59.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -122.7 135.29 54.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -77.74 129.01 34.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.501 HG23 ' HE2' ' A' ' 53' ' ' PHE . 16.1 m -134.49 146.36 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -112.33 121.85 46.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.501 ' HE2' HG23 ' A' ' 51' ' ' VAL . 1.7 p90 -132.07 161.04 34.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.1 m -88.6 -57.26 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.51 HG21 ' SD ' ' A' ' 32' ' ' MET . 86.6 t 64.35 124.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.3 m -140.42 152.39 66.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.683 0.754 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 2.9 3.1 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.701 2.267 . . . . 0.0 112.325 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.94 160.11 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.4 -11.68 61.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 61' ' ' SER . 0.5 OUTLIER -88.57 -19.66 26.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 60' ' ' LEU . 2.4 m 34.32 42.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.29 43.43 1.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? 62.8 76.08 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -177.52 151.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -162.43 149.33 13.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -143.61 153.93 43.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.27 126.82 34.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.445 ' O ' ' C ' ' A' ' 69' ' ' ARG . 3.2 pt -107.04 155.98 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' ILE . 56.6 mtm-85 34.59 79.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.2 mt -79.02 119.0 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -115.74 101.15 8.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.676 ' HG3' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -54.03 121.27 7.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.841 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.3 mt -79.37 147.33 68.23 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.63 0.729 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 162.45 42.01 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.71 2.274 . . . . 0.0 112.341 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.16 104.41 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.6 56.31 0.22 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.511 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.2 m -140.08 -64.35 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 0.0 111.138 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.453 HG22 ' N ' ' A' ' 79' ' ' SER . 2.9 p -93.94 154.91 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.453 ' N ' HG22 ' A' ' 78' ' ' VAL . 52.1 p -158.5 141.95 15.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.659 ' CG ' HG22 ' A' ' 26' ' ' VAL . 2.8 p90 -175.91 142.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -43.53 147.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.6 m -153.9 108.03 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.815 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -106.64 128.79 54.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.6 m -127.86 -174.97 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -138.4 -95.01 0.33 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 153.69 68.56 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.291 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.97 171.02 7.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.3 m -134.59 121.83 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.43 142.5 41.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.899 0.381 . . . . 0.0 110.868 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.9 p -94.29 113.66 25.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.814 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.94 -120.95 6.48 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.6 p -45.53 99.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 110.885 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.92 -51.38 0.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.32 46.89 0.31 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 -92.24 154.67 18.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.3 . . . . 0.0 110.932 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -133.93 151.19 51.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.2 157.19 19.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.61 168.8 41.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.7 m -102.58 148.27 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.077 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.468 ' CD1' HG12 ' A' ' 23' ' ' ILE . 18.7 mm -72.99 112.31 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.26 -10.91 58.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.481 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -179.22 146.78 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.402 ' HE1' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -150.05 63.42 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.481 ' NH1' ' HB1' ' A' ' 15' ' ' ALA . 15.5 mmp_? -57.2 -171.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -79.36 79.96 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.72 -58.13 0.62 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -125.53 -169.12 1.94 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.91 0.386 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.37 -145.55 5.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.531 ' CD1' ' HG3' ' A' ' 31' ' ' ARG . 25.7 m-85 -161.93 145.89 12.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 110.822 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 13' ' ' ILE . 10.7 mt -126.19 113.28 33.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.66 113.55 20.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.53 144.47 41.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.547 HG22 ' CE2' ' A' ' 80' ' ' PHE . 41.3 t -70.77 -44.02 76.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.25 -40.62 51.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.25 136.33 34.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -88.38 39.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.5 m -137.94 167.21 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.531 ' HG3' ' CD1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -105.06 148.97 26.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.5 tpp -114.16 120.4 40.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 33' ' ' PHE . 1.5 p90 -78.06 121.11 23.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -120.4 162.2 19.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -104.51 155.23 19.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.64 38.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.0 m -122.6 -24.21 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -84.62 -10.5 57.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.647 HG22 ' O ' ' A' ' 39' ' ' ILE . 53.0 mt -70.87 0.43 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.729 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.9 pp -53.05 -19.53 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.729 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -50.73 -17.72 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.18 87.55 1.33 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 173.32 113.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.771 0.319 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.93 86.55 1.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.402 ' O ' ' HE1' ' A' ' 16' ' ' MET . 40.8 mt -46.45 154.79 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -150.03 150.2 31.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.629 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 39.3 mm -41.46 113.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 79.81 62.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.049 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -133.76 136.76 44.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.453 ' HG2' ' CG1' ' A' ' 78' ' ' VAL . 1.7 mt-10 -75.71 139.36 41.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.4 m -142.92 147.85 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.658 ' OE1' HD21 ' A' ' 73' ' ' LEU . 15.8 tt0 -110.99 115.7 29.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -138.45 157.07 46.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.7 m -96.59 121.75 38.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.6 t -111.82 114.0 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.3 m -136.3 144.57 48.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.631 0.729 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 145.66 57.99 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.24 159.31 17.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.28 49.79 1.03 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mt -134.47 15.09 3.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.9 m 62.52 159.3 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . 48.83 28.19 1.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -148.24 166.95 26.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 65' ' ' ASN . 8.2 ttp180 -172.75 149.38 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 64' ' ' ARG . 38.1 p30 -35.34 147.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.77 170.05 22.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.26 128.31 44.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.5 pt -116.86 152.06 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.655 ' HD3' HD11 ' A' ' 40' ' ' LEU . 24.3 mmt85 40.19 72.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.459 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 49.6 mt -70.25 114.0 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -117.98 121.66 41.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.97 135.31 52.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.658 HD21 ' OE1' ' A' ' 52' ' ' GLU . 12.0 mt -105.39 144.09 28.11 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.613 0.721 . . . . 0.0 110.895 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 154.97 66.93 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.658 2.239 . . . . 0.0 112.334 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -60.21 131.84 52.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.7 -40.52 2.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.427 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 97.7 m -52.15 -69.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.127 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.673 HG22 ' H ' ' A' ' 79' ' ' SER . 5.2 p -108.17 172.12 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.673 ' H ' HG22 ' A' ' 78' ' ' VAL . 0.3 OUTLIER 172.75 -179.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.547 ' CE2' HG22 ' A' ' 26' ' ' VAL . 7.1 m-85 -118.3 -60.76 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -155.44 -56.33 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.2 m -147.76 84.78 1.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -95.52 120.22 35.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 93.2 p -134.72 117.38 15.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 179.23 82.99 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 127.05 14.09 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.707 2.271 . . . . 0.0 112.375 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.3 t -67.35 149.78 49.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.912 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.29 85.27 2.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.812 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m 60.84 115.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.918 0.39 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.13 132.21 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.3 50.05 0.8 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.65 120.84 40.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.881 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.56 163.1 15.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.15 43.1 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.478 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -120.79 148.7 43.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.72 0.295 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -126.92 169.88 12.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.435 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -118.95 156.28 29.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -161.58 165.64 35.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.41 HG11 ' CD2' ' A' ' 80' ' ' PHE . 33.2 m -103.41 139.6 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.478 ' CD1' HG12 ' A' ' 23' ' ' ILE . 7.9 mm -72.4 99.33 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.64 -26.74 68.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.05 157.41 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.064 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.452 ' SD ' HG21 ' A' ' 13' ' ' ILE . 2.3 ptm -156.67 81.55 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -94.73 154.13 17.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -43.14 105.39 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.47 -54.99 0.78 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -153.44 -172.34 4.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.854 0.359 . . . . 0.0 110.918 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.05 -158.48 8.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CZ ' ' CE2' ' A' ' 20' ' ' PHE . 24.3 m-85 -152.29 151.78 31.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.498 HD11 ' CD1' ' A' ' 34' ' ' PHE . 8.6 mt -137.74 111.93 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -86.26 139.5 30.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.418 ' CB ' ' HB2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -79.67 158.44 27.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.3 t -64.86 -46.29 92.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -101.32 -41.85 6.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.418 ' HB2' ' CB ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -71.41 158.35 36.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.73 42.89 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 m -122.84 146.78 27.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.92 127.96 44.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 32.5 tpp -97.0 86.12 3.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.505 ' CG ' ' O ' ' A' ' 33' ' ' PHE . 2.1 p90 -56.96 121.02 8.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.498 ' CD1' HD11 ' A' ' 23' ' ' ILE . 20.1 p90 -118.76 168.73 10.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -104.01 155.17 18.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -80.65 42.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 m -124.77 -24.17 4.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.831 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -83.84 -9.41 58.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.498 HG22 ' O ' ' A' ' 39' ' ' ILE . 22.5 mt -73.43 0.4 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.69 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.5 pp -52.84 -20.46 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.69 ' N ' HD12 ' A' ' 40' ' ' LEU . 3.3 t0 -50.54 -17.85 0.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . 85.16 90.83 0.83 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.461 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 7.3 m-20 171.28 116.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.767 0.318 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.64 109.91 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.624 HD11 HG11 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -72.02 164.21 26.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -168.26 154.54 7.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 46' ' ' HIS . 30.0 mm -35.12 120.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 44.91 82.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.74 2.92 10.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.632 ' HB3' HG21 ' A' ' 78' ' ' VAL . 4.9 mt-10 54.15 106.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.624 HG11 HD11 ' A' ' 45' ' ' LEU . 33.4 m -125.99 160.15 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.782 ' HB2' HD11 ' A' ' 73' ' ' LEU . 3.0 tt0 -117.86 127.34 53.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.407 ' CB ' ' HB1' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -136.36 161.28 36.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.8 m -85.75 -45.15 11.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 81.4 t 60.44 118.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.7 m -139.22 144.98 42.71 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.616 0.722 . . . . 0.0 111.153 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 0.91 4.9 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.8 174.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 1.6 mmm -110.95 -41.17 4.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.5 mt -50.84 -61.43 2.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 t -111.64 129.23 56.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.33 -46.15 80.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.069 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.47 99.4 10.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.28 89.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -103.89 125.44 50.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -139.36 150.57 45.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.407 ' HB1' ' CB ' ' A' ' 53' ' ' PHE . . . -85.94 129.47 34.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.2 pt -112.82 163.43 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 40.88 64.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.436 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 75.2 mt -69.0 121.21 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.34 129.61 43.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 140.08 46.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.782 HD11 ' HB2' ' A' ' 52' ' ' GLU . 88.6 mt -105.9 144.29 28.6 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.61 0.719 . . . . 0.0 110.927 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 168.83 20.37 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.382 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 155.41 39.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.6 55.73 6.5 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 50.5 m -162.77 -52.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.107 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.632 HG21 ' HB3' ' A' ' 50' ' ' GLU . 20.6 t -91.08 158.16 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.464 ' N ' HG12 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -59.32 -155.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.804 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.41 ' CD2' HG11 ' A' ' 12' ' ' VAL . 38.7 m-85 60.32 108.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -108.15 98.66 8.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.9 t -52.53 113.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -64.47 133.34 52.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.54 116.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.32 147.46 34.46 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 152.7 69.27 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.692 2.262 . . . . 0.0 112.305 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.1 p -137.34 91.5 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.1 p -123.41 -54.23 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.456 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -135.86 152.85 51.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.353 . . . . 0.0 110.85 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -163.23 145.16 9.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.41 66.5 0.49 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.478 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.39 117.25 33.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 110.852 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.48 96.5 10.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.1 80.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -112.98 123.79 51.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -100.34 160.78 14.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.478 ' HE3' HG22 ' A' ' 78' ' ' VAL . 31.0 mtm -140.49 137.53 33.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.57 -157.16 8.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.47 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.4 m -125.51 148.27 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.345 . . . . 0.0 111.146 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.604 HD13 HG12 ' A' ' 23' ' ' ILE . 12.7 mm -85.25 98.09 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.11 -26.0 61.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.512 ' HB1' HH12 ' A' ' 17' ' ' ARG . . . -154.45 146.77 23.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.067 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.429 ' HE1' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -156.81 79.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.512 HH12 ' HB1' ' A' ' 15' ' ' ALA . 12.7 mmp_? -69.54 -172.25 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -78.68 89.07 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.87 -45.99 1.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -137.44 -176.14 4.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.425 ' CA ' ' HA ' ' A' ' 16' ' ' MET . . . -163.63 -147.16 4.97 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.464 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -159.75 152.17 21.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.604 HG12 HD13 ' A' ' 13' ' ' ILE . 40.3 mt -134.12 112.78 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -74.12 115.22 13.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.67 126.72 31.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.926 HG12 ' CG ' ' A' ' 80' ' ' PHE . 18.4 m -62.58 -32.57 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.162 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -96.26 -44.05 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.3 mtt85 -85.74 151.9 23.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.0 31.72 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.8 123.55 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -62.61 159.77 15.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 62.3 tpp -111.26 133.59 53.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -87.65 105.68 17.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.552 ' HB2' HD11 ' A' ' 70' ' ' ILE . 24.1 p90 -106.59 159.75 15.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -109.34 154.53 22.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.402 ' HA ' HD12 ' A' ' 39' ' ' ILE . 4.3 m-85 -82.88 39.61 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.3 t -122.83 -31.87 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -80.78 -11.14 59.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.608 HG22 ' O ' ' A' ' 39' ' ' ILE . 51.7 mt -70.62 0.33 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.81 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.5 pp -52.89 -24.77 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.972 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.81 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -45.46 -25.14 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.796 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 43' ' ' ASN . . . 100.97 91.84 2.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.427 ' CG ' ' HB3' ' A' ' 72' ' ' LYS . 7.2 m-20 170.49 113.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.342 . . . . 0.0 110.881 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.12 89.44 3.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.633 HD11 HG21 ' A' ' 70' ' ' ILE . 71.7 mt -54.74 167.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -167.33 -172.62 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.477 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 48.1 mm -64.81 115.17 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 70.39 58.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.06 119.63 30.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -56.53 145.8 26.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.4 m -152.8 154.37 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.426 ' HB2' HD21 ' A' ' 73' ' ' LEU . 44.9 tt0 -129.58 119.97 24.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.416 ' CE1' HD13 ' A' ' 23' ' ' ILE . 4.7 p90 -138.19 161.64 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.0 m -98.43 96.16 7.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.5 t -67.97 123.85 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.5 m -154.49 144.34 15.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 162.01 43.72 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.251 . . . . 0.0 112.325 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.34 169.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -39.79 62.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 mt -86.9 27.49 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.5 p 41.65 45.08 2.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.32 28.42 4.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.05 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 46.86 80.27 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.5 75.52 1.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -67.73 125.28 25.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.498 ' CE1' ' CG2' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -134.52 170.57 15.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.72 120.81 39.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.498 ' CG2' ' CE1' ' A' ' 66' ' ' HIS . 6.3 pt -101.26 158.05 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' ILE . 1.0 OUTLIER 34.67 86.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.633 HG21 HD11 ' A' ' 45' ' ' LEU . 53.5 mt -90.95 112.93 25.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -124.24 106.27 10.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.427 ' HB3' ' CG ' ' A' ' 43' ' ' ASN . 14.3 tttt -44.34 148.96 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' A' ' 52' ' ' GLU . 8.1 mt -100.81 146.09 31.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 150.88 68.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.362 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.92 137.86 31.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.72 59.22 2.25 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.508 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 93.7 m -143.52 -47.76 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.855 0.36 . . . . 0.0 111.14 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.478 HG22 ' HE3' ' A' ' 10' ' ' MET . 3.1 t -106.34 153.65 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.72 116.53 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.926 ' CG ' HG12 ' A' ' 26' ' ' VAL . 2.0 p90 -151.33 -46.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -93.52 104.58 16.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.1 p -118.25 41.89 2.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -100.51 124.19 45.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.5 m 62.36 147.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.45 160.25 36.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.448 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 114.99 3.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.731 2.287 . . . . 0.0 112.302 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 84.2 p -101.69 133.69 46.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.3 141.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.472 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.93 82.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.79 156.03 19.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.95 141.2 12.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.438 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.9 p -176.23 122.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -62.67 -48.39 79.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.51 177.06 19.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -99.07 120.95 40.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -112.68 161.97 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.481 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -110.68 154.63 23.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.19 160.3 33.92 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.8 m -98.06 144.9 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.654 HD13 HG12 ' A' ' 23' ' ' ILE . 6.4 mm -76.59 122.96 32.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.27 -34.74 12.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.95 160.05 33.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 15.2 mtp -155.37 41.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.09 159.38 7.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.32 96.26 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.02 -50.01 0.9 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -147.86 -179.86 7.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.85 -149.89 5.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.417 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 49.7 m-85 -155.85 139.64 16.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 110.922 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.654 HG12 HD13 ' A' ' 13' ' ' ILE . 2.9 mt -120.44 113.93 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -81.17 136.27 35.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.6 m -92.45 139.57 30.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.763 HG12 ' CE2' ' A' ' 80' ' ' PHE . 5.5 m -65.0 -34.48 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -92.35 -46.18 7.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.82 149.97 26.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -100.42 37.4 1.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.2 m -137.95 174.3 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.417 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 18.0 ptt180 -108.41 166.54 10.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.571 ' SD ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -121.83 85.65 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.526 ' O ' ' CD2' ' A' ' 33' ' ' PHE . 2.8 t80 -47.04 100.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.467 ' CD1' HD11 ' A' ' 23' ' ' ILE . 42.4 p90 -101.25 164.31 11.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -111.46 155.22 23.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -82.4 39.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.26 -30.22 2.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -79.89 -12.12 59.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 39' ' ' ILE . 67.9 mt -70.71 0.4 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.759 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.8 pp -52.89 -21.82 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.759 ' N ' HD12 ' A' ' 40' ' ' LEU . 1.5 t0 -50.51 -28.13 7.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.68 93.38 2.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.434 ' CG ' ' HB2' ' A' ' 72' ' ' LYS . 3.2 m-80 170.76 112.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -76.44 85.38 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.453 HD22 HG11 ' A' ' 51' ' ' VAL . 63.3 mt -38.66 154.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 47' ' ' ILE . 1.5 m-70 -148.15 138.84 23.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.57 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 46.3 mm -35.92 110.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 75.86 71.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.078 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.34 133.35 29.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.08 132.74 48.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.453 HG11 HD22 ' A' ' 45' ' ' LEU . 31.2 m -141.36 154.93 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -117.46 128.31 54.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.692 ' CB ' ' HB1' ' A' ' 67' ' ' ALA . 3.0 p90 -144.6 156.33 44.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.467 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 51.0 m -97.02 122.5 40.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.571 HG22 ' SD ' ' A' ' 32' ' ' MET . 95.6 t -103.78 128.26 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 m -136.26 150.4 70.78 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.595 0.712 . . . . 0.0 111.158 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 2.8 3.2 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.392 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 62.51 152.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -56.62 16.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 61' ' ' SER . 4.6 mt -91.68 -68.3 0.8 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 60' ' ' LEU . 50.1 m -35.9 107.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.39 -52.13 20.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -113.89 68.4 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -162.58 140.66 8.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.551 ' HB3' HG13 ' A' ' 55' ' ' VAL . 86.8 m-20 -137.93 161.8 35.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.406 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 0.3 OUTLIER -149.17 146.31 27.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.692 ' HB1' ' CB ' ' A' ' 53' ' ' PHE . . . -90.65 124.89 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.467 ' CG1' ' HB ' ' A' ' 54' ' ' THR . 1.6 pt -106.22 159.01 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.464 ' NE ' HD11 ' A' ' 40' ' ' LEU . 4.7 mmt85 36.0 79.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 79.3 mt -82.84 123.02 38.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.403 ' HB2' ' CG ' ' A' ' 41' ' ' ASP . 12.9 ttpt -136.76 115.24 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.434 ' HB2' ' CG ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -56.61 137.22 54.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.481 ' CD1' ' HG2' ' A' ' 10' ' ' MET . 37.4 mt -90.94 151.03 42.95 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.64 0.733 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 150.63 68.7 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.399 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 139.52 55.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.27 64.16 1.67 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.6 m -156.21 -38.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 111.132 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.8 t -115.57 152.71 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 m -160.0 174.2 14.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.763 ' CE2' HG12 ' A' ' 26' ' ' VAL . 35.4 m-85 -115.83 140.63 49.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.52 -45.3 4.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.32 120.47 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -74.59 165.43 25.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.6 p -160.1 177.56 10.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.9 146.18 37.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 117.89 5.36 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.0 t -126.89 -68.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.0 p 178.89 161.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -105.87 143.63 33.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -153.66 113.14 3.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.29 122.35 6.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 m -96.11 119.98 35.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.905 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -165.95 131.0 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.0 84.09 0.31 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -116.63 124.07 48.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 110.875 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -100.45 149.24 23.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.86 138.17 54.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.83 178.21 36.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 m -98.09 152.58 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.125 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.539 HG21 ' HG2' ' A' ' 16' ' ' MET . 38.5 mm -80.72 121.31 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.11 -20.51 28.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.05 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.57 ' HB1' ' NH1' ' A' ' 17' ' ' ARG . . . -166.7 151.94 7.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.109 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.539 ' HG2' HG21 ' A' ' 13' ' ' ILE . 3.3 mmm -135.13 41.06 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.57 ' NH1' ' HB1' ' A' ' 15' ' ' ALA . 15.8 mmp_? -45.59 148.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.88 97.75 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.23 -33.16 4.45 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -154.39 168.31 27.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.898 0.38 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.58 -147.92 4.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 31' ' ' ARG . 15.0 m-85 -156.61 167.38 30.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.873 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.436 HG23 HD13 ' A' ' 13' ' ' ILE . 3.6 mt -147.27 105.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -88.22 109.46 19.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.0 172.64 5.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.192 HG12 ' CE2' ' A' ' 80' ' ' PHE . 29.2 m -92.54 -38.75 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.04 -35.3 11.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.407 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -78.55 -42.02 30.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 62.46 42.6 8.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 28' ' ' ARG . 2.0 m -139.15 148.84 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.481 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 7.0 ptt180 -82.49 125.18 30.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.84 94.76 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -49.62 135.04 19.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.413 ' CD2' HD11 ' A' ' 23' ' ' ILE . 30.1 p90 -153.86 155.19 35.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -95.38 155.19 16.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -81.3 41.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.82 -17.71 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.493 ' N ' ' CD ' ' A' ' 38' ' ' GLU . 0.5 OUTLIER -86.14 -9.46 56.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.559 HG22 ' O ' ' A' ' 39' ' ' ILE . 43.7 mt -74.31 0.4 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.167 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.617 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.4 pp -52.92 -15.91 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.617 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -56.27 -14.72 3.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.5 77.05 0.45 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -144.71 9.76 1.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' ASN . 3.0 mt-30 34.38 82.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.45 HD21 HG21 ' A' ' 70' ' ' ILE . 2.8 mp -61.64 173.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.479 ' CB ' ' OD2' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -171.95 157.18 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -43.65 135.73 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 52.23 59.49 4.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.479 ' OD2' ' CB ' ' A' ' 46' ' ' HIS . 50.7 m-20 -125.15 120.44 31.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.6 124.88 23.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.422 ' HB ' HG23 ' A' ' 70' ' ' ILE . 34.1 m -131.51 144.87 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -104.49 127.54 52.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.569 ' CB ' ' HB1' ' A' ' 67' ' ' ALA . 12.5 p90 -140.27 157.47 45.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 91.6 m -103.73 111.76 24.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.108 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.473 HG13 ' HB2' ' A' ' 65' ' ' ASN . 95.3 t -80.24 124.24 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.162 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.4 m -136.43 144.38 47.26 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.614 0.721 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 152.18 69.0 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.717 2.278 . . . . 0.0 112.317 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.36 171.0 8.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.98 8.63 25.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.475 HD13 ' HE ' ' A' ' 64' ' ' ARG . 4.5 mt -94.99 -44.22 7.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 81.4 p -166.49 153.37 9.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.23 -33.65 28.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.95 83.86 3.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.475 ' HE ' HD13 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -178.14 104.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.473 ' HB2' HG13 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -138.85 176.62 8.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.489 ' CE1' ' CG2' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -156.66 164.82 37.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.569 ' HB1' ' CB ' ' A' ' 53' ' ' PHE . . . -96.43 116.6 29.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.489 ' CG2' ' CE1' ' A' ' 66' ' ' HIS . 9.5 pt -103.99 161.67 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' ILE . 3.3 mmt180 34.6 71.58 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.45 HG21 HD21 ' A' ' 45' ' ' LEU . 78.8 mt -71.37 119.46 17.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -127.01 111.05 13.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.5 156.39 3.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.2 mt -119.71 147.54 44.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.948 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 156.1 64.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 0.0 112.349 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -62.06 122.48 15.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 129.7 -55.07 0.77 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.1 m -46.2 -62.38 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.33 . . . . 0.0 111.12 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 79' ' ' SER . 30.5 t -90.59 157.87 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.467 ' N ' HG12 ' A' ' 78' ' ' VAL . 0.3 OUTLIER 175.76 177.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 1.192 ' CE2' HG12 ' A' ' 26' ' ' VAL . 5.1 m-85 -121.79 176.68 5.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -113.52 -44.51 3.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -86.92 136.73 32.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -113.96 152.63 30.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.88 -55.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 164.3 82.16 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -6.85 19.57 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.695 2.264 . . . . 0.0 112.345 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.02 103.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.877 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.85 117.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.452 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 t -107.78 -45.07 4.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.9 p 178.98 96.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.821 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.64 -64.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.3 p -122.11 141.02 51.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.948 0.404 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.98 102.68 3.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.79 51.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.455 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.84 130.1 34.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 110.82 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -109.77 152.46 25.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.68 158.54 31.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.96 161.21 35.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.7 m -96.38 134.64 33.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.784 0.325 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.65 HD13 HG12 ' A' ' 23' ' ' ILE . 27.5 mm -66.76 121.14 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.37 -39.31 14.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.54 164.5 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.439 ' CE ' ' HB2' ' A' ' 45' ' ' LEU . 85.9 mtp -141.47 45.38 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' MET . 4.8 mmp_? -37.47 148.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -60.96 85.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.49 -28.8 3.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.488 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -157.48 162.84 38.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.953 0.406 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.455 ' C ' ' CE1' ' A' ' 34' ' ' PHE . . . -137.38 179.38 18.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.412 ' C ' HG13 ' A' ' 23' ' ' ILE . 5.7 m-85 -119.06 161.58 20.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.65 HG12 HD13 ' A' ' 13' ' ' ILE . 21.7 mt -140.14 120.51 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.91 123.99 35.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 90.3 m -81.39 145.57 30.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.642 HG22 ' CZ ' ' A' ' 80' ' ' PHE . 43.1 t -82.52 -23.52 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 27' ' ' ASP . 0.8 OUTLIER -105.76 -32.07 8.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -104.56 148.49 26.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.19 41.13 1.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 30' ' ' VAL . 30.4 m -137.62 125.11 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -61.01 161.57 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.9 ttm -134.23 73.61 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -44.16 142.34 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.455 ' CE1' ' C ' ' A' ' 21' ' ' GLY . 26.3 p90 -133.99 170.18 16.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.831 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -113.99 154.38 27.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -81.6 41.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.4 -29.48 3.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.63 -11.08 57.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.548 HG22 ' O ' ' A' ' 39' ' ' ILE . 35.4 mt -70.79 0.56 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.763 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.3 pp -52.73 -23.9 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.763 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.4 t70 -43.01 -40.45 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.07 86.8 1.39 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 171.68 134.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.748 0.309 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.07 111.84 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.595 HD11 HG11 ' A' ' 51' ' ' VAL . 3.3 mm? -56.48 -177.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.49 149.68 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 19.4 mm -47.16 115.83 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 74.51 53.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -119.1 135.94 54.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.6 143.26 33.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.595 HG11 HD11 ' A' ' 45' ' ' LEU . 16.5 m -148.81 142.21 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.751 ' HB2' HD11 ' A' ' 73' ' ' LEU . 1.3 tm-20 -104.6 132.95 50.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.52 150.7 45.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.3 m -72.0 -50.23 30.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.1 t 60.37 125.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.8 m -154.22 144.91 16.04 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.617 0.722 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 86.12 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.366 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -44.66 161.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.43 34.63 5.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.5 mt -135.06 -55.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.5 m -122.37 119.73 31.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.37 45.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -88.96 29.72 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.2 tpt85 74.33 131.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -42.99 134.56 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -101.38 177.45 4.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -109.65 120.12 41.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 69' ' ' ARG . 7.3 pt -101.11 161.8 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.16 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER 35.12 70.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 42.7 mt -71.22 109.79 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -117.16 119.35 34.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.43 124.93 25.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.751 HD11 ' HB2' ' A' ' 52' ' ' GLU . 3.5 mt -85.99 152.63 56.47 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 147.67 63.06 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.655 2.237 . . . . 0.0 112.366 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -55.13 124.69 17.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.58 -52.43 0.73 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.4 m -41.15 -48.34 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 111.183 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.505 HG12 ' N ' ' A' ' 79' ' ' SER . 21.3 t -114.76 160.05 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.505 ' N ' HG12 ' A' ' 78' ' ' VAL . 0.7 OUTLIER 179.68 174.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.784 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.642 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 10.3 m-85 -114.73 45.82 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 60.83 144.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 84.6 p -92.99 175.05 6.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -97.56 164.17 12.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.809 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.5 134.61 23.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.6 -86.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 135.18 29.79 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.631 2.221 . . . . 0.0 112.372 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.2 169.8 9.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 57.07 94.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m 54.37 41.32 32.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.914 0.388 . . . . 0.0 110.855 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.45 173.0 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.96 -138.91 9.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.5 p 39.99 80.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 0.0 110.877 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.0 p -127.57 175.88 7.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.53 60.17 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.422 ' CZ ' ' OG1' ' A' ' 54' ' ' THR . 14.0 mmt180 -79.89 136.76 36.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.78 0.324 . . . . 0.0 110.896 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -111.2 147.32 35.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.6 156.29 19.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -175.41 162.23 31.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -98.05 142.64 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.803 0.335 . . . . 0.0 111.134 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.568 HD13 HG12 ' A' ' 23' ' ' ILE . 45.8 mm -74.53 106.25 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.13 -44.9 17.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.66 155.38 33.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.454 ' CG ' HG21 ' A' ' 13' ' ' ILE . 42.2 mtp -148.03 47.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -53.61 176.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -81.96 43.66 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.28 -48.79 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.507 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 22.0 p90 -136.46 -178.79 5.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.918 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -165.5 -161.89 15.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -138.08 143.42 40.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.568 HG12 HD13 ' A' ' 13' ' ' ILE . 18.4 mt -128.08 88.65 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -56.06 119.77 6.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.72 144.45 37.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.4 m -83.28 -10.69 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -101.29 -46.89 4.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -100.87 163.0 12.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.72 40.93 1.16 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.0 m -143.11 146.62 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -84.35 154.11 23.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.7 tpp -107.07 115.45 30.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.507 ' CE1' ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -66.5 112.26 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.42 ' HB2' HD11 ' A' ' 70' ' ' ILE . 17.2 p90 -118.69 152.01 36.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -106.92 155.2 20.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -80.61 42.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.3 -27.51 3.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -80.3 -12.8 59.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.554 HG22 ' O ' ' A' ' 39' ' ' ILE . 40.7 mt -70.7 0.49 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.811 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.0 pp -52.92 -24.71 9.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.811 ' N ' HD12 ' A' ' 40' ' ' LEU . 7.1 m-20 -45.84 -37.57 6.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.88 93.92 2.22 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.504 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 170.2 98.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.48 90.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.609 HD11 HG21 ' A' ' 70' ' ' ILE . 29.9 mt -57.8 155.37 10.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -144.84 156.02 43.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.9 mm -43.73 127.05 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 61.99 59.19 1.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -127.71 137.42 52.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -67.3 139.51 57.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.6 m -143.43 144.41 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.486 ' CG ' HD21 ' A' ' 73' ' ' LEU . 3.7 tt0 -109.05 129.91 55.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 53' ' ' PHE . 2.5 p90 -148.18 150.8 34.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.422 ' OG1' ' CZ ' ' A' ' 8' ' ' ARG . 23.9 m -88.91 111.15 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.4 t -91.62 132.67 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.8 m -155.92 150.52 20.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.62 0.724 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 110.91 2.67 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.712 2.275 . . . . 0.0 112.328 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.41 161.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.88 32.07 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.56 ' C ' HD12 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -135.98 -37.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.53 136.52 47.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.75 84.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.135 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -100.05 73.87 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.34 141.5 14.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -149.79 154.45 38.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -139.08 177.56 7.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -125.79 122.02 34.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.076 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 69' ' ' ARG . 1.6 pt -109.21 160.22 8.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 68' ' ' ILE . 2.1 mmt-85 34.66 81.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.609 HG21 HD11 ' A' ' 45' ' ' LEU . 79.3 mt -76.95 115.09 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.06 114.64 19.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.428 ' NZ ' ' HA ' ' A' ' 45' ' ' LEU . 13.8 tttp -53.87 152.43 5.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.963 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.486 HD21 ' CG ' ' A' ' 52' ' ' GLU . 13.4 mt -111.18 147.48 36.7 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.624 0.726 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 160.42 49.78 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.266 . . . . 0.0 112.329 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.55 125.97 27.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.13 -45.99 1.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 73.8 m -51.07 -75.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 111.131 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.87 150.42 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.13 118.04 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.467 ' O ' ' CG ' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -161.77 45.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -177.44 -49.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.89 81.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.53 151.87 19.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.1 t -104.69 130.09 52.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -168.83 146.45 10.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -0.43 6.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.9 m 60.95 104.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.9 t -73.6 168.32 19.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -121.98 -58.45 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.919 0.39 . . . . 0.0 110.89 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m 49.04 90.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.8 -149.48 37.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 t -132.34 111.12 11.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.941 0.401 . . . . 0.0 110.835 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.0 m -124.14 114.47 19.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.25 66.51 0.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.5 mtt85 -89.12 129.04 35.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.737 0.304 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -116.39 165.34 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.44 ' HG2' ' CD1' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -128.24 153.24 47.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.02 172.81 38.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.3 m -111.45 138.29 40.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.804 0.335 . . . . 0.0 111.158 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.449 HD13 HG23 ' A' ' 23' ' ' ILE . 23.7 mm -67.98 142.33 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.11 -25.6 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.98 135.16 47.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.43 ' HE1' ' HB2' ' A' ' 45' ' ' LEU . 48.9 mmm -142.91 51.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.465 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 13.6 mmp_? -46.39 -85.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -160.04 51.76 0.32 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.505 ' HA2' ' CG ' ' A' ' 36' ' ' PHE . . . 139.28 -41.93 1.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.494 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -123.2 163.84 19.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -175.5 -125.68 0.89 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.507 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -157.74 169.22 25.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.496 HD11 ' CD1' ' A' ' 34' ' ' PHE . 3.3 mt -147.83 96.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.71 109.33 2.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 t -70.31 153.23 43.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.6 m -85.67 -30.08 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -83.69 -43.0 15.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.7 164.52 12.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.93 38.34 2.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.6 m -138.43 176.74 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.2 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -101.56 149.56 23.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.46 ' SD ' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -115.66 73.82 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 32' ' ' MET . 1.5 t80 -37.07 149.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.496 ' CD1' HD11 ' A' ' 23' ' ' ILE . 5.9 p90 -153.36 159.68 42.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -106.66 155.39 19.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.505 ' CG ' ' HA2' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -82.81 37.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.35 -17.87 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -92.8 -12.67 30.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.591 HG22 ' O ' ' A' ' 39' ' ' ILE . 55.5 mt -70.71 0.49 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.788 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.0 pp -52.85 -20.76 3.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.788 ' N ' HD12 ' A' ' 40' ' ' LEU . 8.4 t70 -44.96 -27.66 0.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.58 82.92 1.66 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 171.58 122.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -76.1 127.9 33.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.512 HD11 HG11 ' A' ' 51' ' ' VAL . 1.6 mm? -81.8 165.39 20.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.474 ' N ' ' OD2' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -167.44 147.37 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.876 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.63 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 44.3 mm -41.28 116.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 79.43 51.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.474 ' OD2' ' N ' ' A' ' 46' ' ' HIS . 1.8 m-20 -117.07 130.43 56.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.19 135.32 36.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.512 HG11 HD11 ' A' ' 45' ' ' LEU . 34.6 m -139.85 169.39 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.523 ' HB2' HD21 ' A' ' 73' ' ' LEU . 3.1 tt0 -132.64 127.11 34.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -138.51 150.24 46.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.7 m -76.91 -60.88 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.523 HG22 ' HA ' ' A' ' 67' ' ' ALA . 67.8 t 63.25 137.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.8 m -150.99 144.67 17.38 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.585 0.707 . . . . 0.0 111.15 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 145.46 57.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -97.72 -176.54 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.0 mmm -128.77 -44.02 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 61' ' ' SER . 4.3 mp -128.04 -51.75 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -35.2 114.96 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 61' ' ' SER . . . -34.01 -60.33 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -43.3 162.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.35 -159.55 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -45.72 101.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.517 ' CE1' ' CG2' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -112.93 147.4 37.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.523 ' HA ' HG22 ' A' ' 55' ' ' VAL . . . -87.95 124.57 33.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.062 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.517 ' CG2' ' CE1' ' A' ' 66' ' ' HIS . 1.6 pt -110.27 161.56 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' ILE . 28.4 mmt85 34.43 77.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 69.2 mt -77.69 126.25 37.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -131.12 122.91 27.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.23 133.33 46.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 52' ' ' GLU . 11.9 mt -94.47 149.22 36.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.742 . . . . 0.0 110.931 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 154.03 68.27 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.752 2.301 . . . . 0.0 112.32 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 111.82 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.89 -44.1 1.03 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.444 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.8 m -58.9 -52.15 66.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 111.15 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 t -100.42 152.33 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.44 126.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.469 ' O ' ' CD1' ' A' ' 80' ' ' PHE . 0.2 OUTLIER -162.97 130.4 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.1 t60 54.64 107.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.1 m -61.04 119.89 9.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -87.44 133.56 33.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 m -159.66 127.66 4.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.13 83.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 113.38 3.35 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.326 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.1 t -128.96 -45.28 1.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.88 164.52 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.471 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -110.6 167.78 9.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 0.0 110.864 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.25 175.49 11.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.919 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.05 60.37 3.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.404 ' HA ' HG21 ' A' ' 54' ' ' THR . 0.1 OUTLIER -129.58 109.31 10.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.852 0.358 . . . . 0.0 110.906 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.5 -63.73 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.05 115.28 3.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -96.31 120.15 36.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -108.54 157.81 18.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.484 ' CB ' ' O ' ' A' ' 51' ' ' VAL . 1.7 ptt? -149.15 150.14 32.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -148.72 -144.2 3.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -131.22 136.06 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 111.135 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.7 mm -66.22 114.56 3.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.56 -27.51 17.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.43 165.12 27.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.067 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.1 mtp -153.57 34.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.6 156.72 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.85 94.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.73 -47.4 1.02 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.471 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -155.03 -175.67 5.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.31 -132.68 1.36 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.462 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.592 ' CZ ' ' CZ ' ' A' ' 33' ' ' PHE . 8.9 m-85 -154.06 157.07 38.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 mt -136.0 106.7 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.5 112.27 17.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.53 156.12 31.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.827 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.584 HG11 ' O ' ' A' ' 79' ' ' SER . 60.3 t -77.81 -50.52 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -39.02 61.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -97.28 146.3 25.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -106.36 40.83 1.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.3 m -134.95 132.33 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.5 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 23.2 mtt180 -67.65 135.4 52.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.09 111.07 23.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.592 ' CZ ' ' CZ ' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -69.83 123.38 21.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.853 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -128.69 160.61 31.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -108.01 155.2 20.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.33 36.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.1 m -120.42 -28.14 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -80.28 -14.07 58.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.542 HG22 ' O ' ' A' ' 39' ' ' ILE . 34.8 mt -70.79 0.47 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.816 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.2 pp -52.8 -26.07 13.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.816 ' N ' HD12 ' A' ' 40' ' ' LEU . 3.6 m-20 -40.86 -29.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.15 90.43 2.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 170.03 105.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.727 0.298 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -64.79 95.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 mt -59.54 156.88 12.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -141.47 170.44 15.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.586 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 5.5 mm -62.1 116.21 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.586 ' HB3' ' O ' ' A' ' 47' ' ' ILE . . . 76.73 58.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.36 150.42 45.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -81.14 131.96 35.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.484 ' O ' ' CB ' ' A' ' 10' ' ' MET . 0.8 OUTLIER -138.78 142.32 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.153 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.647 ' HB2' HD11 ' A' ' 73' ' ' LEU . 10.6 tt0 -118.03 128.53 54.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.476 ' CG ' ' HB1' ' A' ' 67' ' ' ALA . 5.5 p90 -148.23 155.22 41.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.404 HG21 ' HA ' ' A' ' 5' ' ' SER . 25.6 m -89.59 122.1 32.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.456 HG13 ' HB2' ' A' ' 65' ' ' ASN . 90.3 t -97.77 117.41 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.1 m -139.21 144.77 41.9 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.631 0.729 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 143.2 50.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.351 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -121.91 142.05 50.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.799 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.93 22.82 13.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mp -127.43 41.04 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 80.6 p -178.37 44.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . 48.0 37.58 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.081 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 72.58 107.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.7 138.7 4.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.456 ' HB2' HG13 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -95.9 149.34 21.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.447 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 0.3 OUTLIER -140.97 145.42 35.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.476 ' HB1' ' CG ' ' A' ' 53' ' ' PHE . . . -89.61 119.27 29.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.8 pt -99.46 155.68 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER 34.77 84.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.2 mt -84.17 113.67 23.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.68 115.35 23.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.92 139.63 33.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.647 HD11 ' HB2' ' A' ' 52' ' ' GLU . 10.5 mt -97.39 148.87 35.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.613 0.72 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.38 65.11 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -48.25 149.52 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.72 65.82 2.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.5 m -150.47 -48.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.841 0.353 . . . . 0.0 111.099 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 t -110.21 154.9 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.584 ' O ' HG11 ' A' ' 26' ' ' VAL . 1.6 m -172.45 169.62 5.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 81' ' ' HIS . 19.1 m-85 -118.29 84.95 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 80' ' ' PHE . 0.2 OUTLIER 34.7 77.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.42 178.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.28 127.6 53.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.805 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 79.9 p -53.71 102.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -94.3 -169.27 37.55 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -12.96 34.15 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.713 2.275 . . . . 0.0 112.352 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.5 t -41.92 114.59 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.7 p -68.12 -177.73 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 179.938 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t 54.43 95.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.372 . . . . 0.0 110.894 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.6 p -142.36 110.86 6.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.4 -176.52 37.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.52 40.03 3.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 110.819 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 m -81.52 44.03 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.54 62.64 0.35 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -83.93 132.21 34.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.328 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -112.41 152.04 29.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -112.29 156.47 22.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.92 160.95 34.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.495 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.0 m -96.64 145.48 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 111.177 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.44 ' CD1' HG12 ' A' ' 23' ' ' ILE . 19.6 mm -69.94 122.88 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.16 -28.68 14.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.56 158.53 41.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.435 ' SD ' HG21 ' A' ' 13' ' ' ILE . 56.5 mmm -144.67 83.83 1.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' N ' ' HD3' ' A' ' 17' ' ' ARG . 0.7 OUTLIER -97.75 150.21 21.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -61.22 94.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.14 -34.8 2.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -159.99 177.98 10.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.849 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.21 -163.34 12.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.518 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 6.4 m-85 -145.68 145.64 30.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.474 HD11 ' CD2' ' A' ' 34' ' ' PHE . 6.3 mt -135.64 96.89 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -63.39 122.53 16.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.17 129.32 39.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.4 HG23 ' CD1' ' A' ' 80' ' ' PHE . 10.9 p -58.94 -37.8 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -94.3 -42.14 9.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -86.6 178.63 7.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -122.6 47.7 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.9 m -140.02 146.5 24.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.518 ' HD2' ' CG ' ' A' ' 22' ' ' PHE . 4.0 mtt-85 -81.85 150.29 27.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.491 ' CE ' ' O ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -112.35 81.12 1.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -41.79 116.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.474 ' CD2' HD11 ' A' ' 23' ' ' ILE . 25.6 p90 -124.86 161.84 25.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -113.12 155.24 25.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -80.54 43.04 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.4 m -128.44 -29.94 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.512 ' OE2' HG22 ' A' ' 68' ' ' ILE . 5.0 mm-40 -81.39 -16.52 51.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 39' ' ' ILE . 42.6 mt -70.24 0.42 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.76 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.4 pp -52.63 -25.24 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.76 ' N ' HD12 ' A' ' 40' ' ' LEU . 1.3 m-20 -42.91 -29.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.453 ' O ' ' ND2' ' A' ' 43' ' ' ASN . . . 107.76 89.56 2.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 42' ' ' GLY . 5.6 m-20 169.51 121.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -82.3 118.08 22.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.4 mp -76.06 172.04 13.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -175.16 156.36 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.853 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' HIS . 33.2 mm -37.31 118.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 62.71 70.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.44 ' CG ' ' HE3' ' A' ' 72' ' ' LYS . 19.7 m-20 -132.13 128.07 37.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -69.06 131.46 45.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.8 m -140.66 135.87 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.772 ' HB2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -104.55 129.35 52.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.455 ' CB ' ' HB1' ' A' ' 67' ' ' ALA . 1.5 p90 -136.41 154.32 50.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.5 m -84.48 -55.93 3.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.119 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.542 HG22 ' HA ' ' A' ' 67' ' ' ALA . 99.7 t 64.49 141.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.5 m -153.9 143.96 15.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.718 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 131.13 20.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.91 166.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.1 mtm -81.92 -38.9 24.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -72.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.7 m -164.91 48.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . 41.17 44.42 2.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -50.7 -39.35 51.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -164.18 139.44 5.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.491 ' O ' ' CE ' ' A' ' 32' ' ' MET . 1.0 OUTLIER -99.44 119.36 37.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.46 159.7 15.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.542 ' HA ' HG22 ' A' ' 55' ' ' VAL . . . -97.69 113.13 24.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.512 HG22 ' OE2' ' A' ' 38' ' ' GLU . 6.2 pt -91.8 160.31 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 68' ' ' ILE . 50.3 mtm-85 34.34 77.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.9 mt -84.85 118.93 32.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -133.18 122.91 24.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.44 ' HE3' ' CG ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -56.62 150.77 14.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.772 HD21 ' HB2' ' A' ' 52' ' ' GLU . 3.5 mt -103.0 148.16 35.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.954 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 150.34 68.52 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.369 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.09 141.03 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.65 60.53 1.97 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.4 m -152.58 -46.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 0.0 111.149 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.5 t -108.82 149.41 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.9 p -167.31 143.24 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.4 ' CD1' HG23 ' A' ' 26' ' ' VAL . 1.5 p90 -173.45 42.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 59.04 82.73 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 t -169.67 147.83 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.02 110.72 5.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.5 p -106.26 146.5 30.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.91 -160.36 28.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 130.86 20.03 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.3 p -123.52 -47.67 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.9 t -153.55 -59.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -121.53 160.93 23.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.374 . . . . 0.0 110.897 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -90.63 42.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.82 89.93 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -159.99 111.2 1.95 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 110.879 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.69 -50.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.66 101.98 0.36 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.511 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -102.21 119.78 39.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.724 0.297 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -98.77 154.97 17.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.42 ' HB3' HG21 ' A' ' 78' ' ' VAL . 0.6 OUTLIER -125.27 158.37 34.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.65 -168.93 29.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.451 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 m -126.59 126.89 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 111.146 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.446 HD13 HG12 ' A' ' 23' ' ' ILE . 35.0 mm -59.28 136.85 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -112.75 -27.12 8.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.89 154.72 42.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.0 mmm -147.05 37.69 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.44 161.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -64.21 96.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.91 -46.26 1.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -147.32 -177.89 5.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.376 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.83 -137.15 2.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CD1' ' HG3' ' A' ' 31' ' ' ARG . 29.0 m-85 -160.51 152.62 20.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.446 HG12 HD13 ' A' ' 13' ' ' ILE . 13.9 mt -135.09 100.33 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.171 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -78.51 119.83 22.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -72.34 168.57 18.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.142 HG22 ' CE1' ' A' ' 80' ' ' PHE . 95.0 t -85.45 -40.32 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.115 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.42 -34.44 14.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -94.73 130.26 41.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -89.36 40.36 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.482 ' O ' HG23 ' A' ' 30' ' ' VAL . 17.2 m -141.59 125.05 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.559 ' HG3' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -64.49 157.96 25.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 47.8 tpp -112.82 110.48 20.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.35 109.98 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -118.64 166.09 13.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -111.58 154.95 24.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -80.91 42.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.5 -14.87 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.45 ' HB3' ' N ' ' A' ' 69' ' ' ARG . 2.2 mm-40 -90.54 -13.79 33.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 39' ' ' ILE . 22.5 mt -72.6 0.46 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.698 HD12 ' N ' ' A' ' 41' ' ' ASP . 1.5 pp -52.85 -15.94 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.698 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -50.9 -30.07 13.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.02 89.65 2.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 171.72 130.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -79.09 73.3 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.659 ' CD1' HG21 ' A' ' 70' ' ' ILE . 6.1 mt -53.06 175.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.55 -175.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 48' ' ' ALA . 35.7 mm -44.4 127.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ILE . . . 35.44 88.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -133.21 13.73 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 54.68 107.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.469 HG11 HD13 ' A' ' 45' ' ' LEU . 1.5 m -128.44 152.34 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.652 ' HB2' HD21 ' A' ' 73' ' ' LEU . 10.1 tt0 -119.5 116.69 26.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 53' ' ' PHE . 2.4 p90 -127.43 161.15 29.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.2 m -94.79 110.55 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 71.9 t -86.5 108.98 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.0 m -121.11 144.27 39.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.597 0.713 . . . . 0.0 111.145 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 0.29 5.79 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.741 2.294 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 t70 66.3 -178.61 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.0 mtp -119.67 45.22 2.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.6 mt -132.7 -54.71 0.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.1 p -150.36 176.6 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.95 48.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.079 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -166.5 32.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.14 119.21 16.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.36 149.28 52.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.505 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 0.5 OUTLIER -149.41 138.6 21.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.42 124.34 32.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.441 HG22 ' OE2' ' A' ' 38' ' ' GLU . 1.4 pp -119.83 165.53 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.45 ' N ' ' HB3' ' A' ' 38' ' ' GLU . 0.2 OUTLIER 34.93 73.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.659 HG21 ' CD1' ' A' ' 45' ' ' LEU . 48.1 mt -69.14 126.7 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -127.34 119.07 25.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.28 145.42 55.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.652 HD21 ' HB2' ' A' ' 52' ' ' GLU . 6.1 mt -114.56 148.06 39.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.588 0.708 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.16 64.66 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.91 142.29 46.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.68 -36.78 4.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.8 m -55.91 -66.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.859 0.362 . . . . 0.0 111.151 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 79' ' ' SER . 15.9 t -99.72 157.04 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.439 ' N ' HG12 ' A' ' 78' ' ' VAL . 0.4 OUTLIER 172.61 147.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.848 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 1.142 ' CE1' HG22 ' A' ' 26' ' ' VAL . 44.3 p90 -179.69 118.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 54.87 94.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.7 m -153.32 90.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -89.49 113.12 24.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.823 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 51.0 p -47.07 120.6 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 159.56 -161.56 32.29 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 117.54 5.14 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -154.17 94.92 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -161.65 -50.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.493 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.0 p -165.58 134.17 3.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 110.844 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 p -114.98 165.0 13.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.6 53.83 0.28 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.1 t -103.04 -51.16 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -114.71 145.34 42.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.03 143.99 15.46 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.524 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.94 132.04 47.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -110.96 157.75 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -120.02 158.51 26.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.33 175.35 40.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 m -118.16 121.31 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 111.154 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.468 ' CD1' HG12 ' A' ' 23' ' ' ILE . 16.4 mm -48.51 119.4 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.52 -27.03 21.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.428 ' O ' ' CG2' ' A' ' 13' ' ' ILE . . . -146.63 166.77 25.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.44 ' HG3' HD13 ' A' ' 47' ' ' ILE . 29.3 mtp -154.33 53.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.427 ' CZ ' ' H ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -72.42 157.8 36.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.34 106.61 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.65 -43.34 1.36 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.54 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -152.52 -174.65 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.932 0.396 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.549 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -157.42 -161.43 10.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.478 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 21' ' ' GLY . 19.9 m-85 -151.67 153.93 35.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 13' ' ' ILE . 14.9 mt -134.31 120.14 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.92 108.12 19.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.08 149.85 8.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.79 -18.19 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.94 -42.29 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -79.04 -179.49 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -124.3 5.68 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.55 147.69 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 -76.74 162.42 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.8 ttm -122.49 101.49 7.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -54.17 136.57 42.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -145.79 149.31 34.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -91.12 155.19 18.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.468 ' CD1' HD12 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -83.83 35.61 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.47 -21.35 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -80.38 -3.54 50.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.576 HG22 ' O ' ' A' ' 39' ' ' ILE . 46.2 mt -77.05 0.33 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.635 HD12 ' N ' ' A' ' 41' ' ' ASP . 2.6 pp -52.86 -19.26 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.635 ' N ' HD12 ' A' ' 40' ' ' LEU . 1.2 t0 -51.38 -19.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.87 80.98 1.5 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 172.68 107.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.774 0.321 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -69.52 95.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.505 HD11 HG21 ' A' ' 70' ' ' ILE . 45.2 mt -45.07 158.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -150.69 157.13 42.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.44 HD13 ' HG3' ' A' ' 16' ' ' MET . 34.8 mm -50.16 123.76 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 59.88 63.59 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.069 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.94 125.38 33.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -55.99 142.81 34.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -147.63 144.42 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.488 ' HB2' HD21 ' A' ' 73' ' ' LEU . 3.0 tt0 -115.62 128.98 56.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.661 ' CD1' HG23 ' A' ' 55' ' ' VAL . 1.2 p90 -140.81 149.43 42.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 88.4 m -67.76 -48.27 66.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.661 HG23 ' CD1' ' A' ' 53' ' ' PHE . 41.1 t 53.79 102.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.65 156.41 75.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.654 0.74 . . . . 0.0 111.117 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 1.41 4.45 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.641 2.227 . . . . 0.0 112.334 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 55.32 174.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.29 37.68 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.8 HD23 ' HG2' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -106.08 -24.58 12.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.521 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 2.3 m 76.85 168.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 61' ' ' SER . . . 72.72 36.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 54.06 97.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.8 ' HG2' HD23 ' A' ' 60' ' ' LEU . 16.7 tpt180 -150.9 101.43 2.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.63 142.95 49.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -141.04 173.36 11.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.72 113.45 26.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' ARG . 4.8 pt -105.46 169.16 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' ILE . 23.0 mmt180 36.28 60.42 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.505 HG21 HD11 ' A' ' 45' ' ' LEU . 64.7 mt -67.02 117.58 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -126.57 129.61 48.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 146.38 54.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' A' ' 52' ' ' GLU . 79.0 mt -106.45 147.12 34.36 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 159.83 52.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.346 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.24 132.45 46.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.74 -49.59 0.84 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.9 m -47.21 -67.97 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.846 0.355 . . . . 0.0 111.144 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.2 t -84.98 151.91 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.41 136.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -176.05 -33.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.435 ' O ' ' CB ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -47.49 -59.59 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 81' ' ' HIS . 2.0 t 78.12 -52.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -103.26 162.15 13.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.63 172.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 167.67 149.99 6.32 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.456 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 123.47 10.14 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.667 2.244 . . . . 0.0 112.355 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.0 m -140.27 127.96 21.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 t -135.8 -49.21 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 179.982 . . . . . . . . 0 0 . 1 stop_ save_