data_2yrk_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 2yrk _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.23 0.111 0 CA-C-O 120.746 0.227 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -144.65 169.17 18.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -122.21 73.04 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 t -41.04 -27.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 tp -70.01 -48.26 58.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.2 m -103.5 7.6 37.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 49.09 29.04 8.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.448 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 82.4 t -105.86 84.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 111.167 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 109.03 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 2.0 m-85 -59.74 145.99 43.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 26' ' ' ARG . 58.3 m -81.59 149.33 28.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.96 -32.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.065 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.6 tpm_? -84.09 -59.83 2.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 28' ' ' SER . 44.1 tp -44.77 167.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.427 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 15.9 m -142.34 158.06 44.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.6 tp -50.33 -40.6 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -62.91 -59.99 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -45.87 -35.36 4.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -71.91 -69.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.503 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 44.9 pt -47.79 -22.58 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -93.25 33.83 1.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' LYS . 2.8 m -144.45 131.15 20.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -34.38 -44.5 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -40.22 -50.61 2.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.513 ' CD2' HG22 ' A' ' 42' ' ' VAL . 20.7 t60 -75.29 -59.46 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.7 mp -38.73 -56.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 t -40.73 -55.94 2.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -56.06 -36.56 68.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.513 HG22 ' CD2' ' A' ' 38' ' ' HIS . 48.7 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.74 0.225 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -144.14 170.4 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -122.9 79.62 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 t -48.39 -22.11 0.65 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 tp -75.45 -45.8 36.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.3 m -103.02 5.84 38.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 55.92 19.84 23.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.517 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.4 t -101.15 119.35 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -91.78 108.36 19.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CE2' HD13 ' A' ' 29' ' ' ILE . 1.7 m-85 -58.38 154.5 13.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 26' ' ' ARG . 80.2 p -88.64 151.85 22.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.75 -32.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' SER . 44.1 ttp180 -84.94 -57.87 2.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.1 tp -46.99 159.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.8 m -135.79 154.04 51.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.469 HD13 ' CE2' ' A' ' 23' ' ' TYR . 6.1 tp -44.6 -44.94 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' HIS . 35.5 mtm180 -62.7 -66.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -39.95 -26.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' ARG . 78.6 t60 -79.37 -64.1 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.5 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 13.9 pt -54.7 -17.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -90.95 25.88 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.4 m -131.32 133.91 45.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.82 -45.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -41.91 -57.44 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.553 ' CD2' HG22 ' A' ' 42' ' ' VAL . 14.1 t60 -69.38 -41.31 76.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.9 mm -46.33 -54.53 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.3 t -45.43 -57.69 3.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -50.5 -42.58 54.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.553 HG22 ' CD2' ' A' ' 38' ' ' HIS . 61.6 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.073 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.721 0.217 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -136.06 175.59 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -126.55 85.82 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 t -53.8 -19.35 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 tp -79.36 -44.59 21.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.4 m -103.62 7.38 37.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 52.55 22.83 12.02 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.25 113.06 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.923 0.392 . . . . 0.0 111.124 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -88.68 103.63 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.578 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 1.4 m-85 -54.29 151.74 7.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 25' ' ' ALA . 16.4 p -87.46 158.37 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.03 -47.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 27' ' ' LEU . 20.9 tpp180 -72.44 -68.47 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' ARG . 32.5 tp -34.31 146.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 29' ' ' ILE . 15.3 m -125.44 146.07 49.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.411 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 4.8 tp -37.57 -38.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -66.16 -61.61 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -44.63 -26.22 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.578 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 76.7 t60 -80.99 -70.07 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.514 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 17.7 pt -44.07 -22.7 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -91.95 33.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' LYS . 69.8 m -134.4 130.35 36.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' SER . 1.2 tmtp? -34.64 -51.26 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.429 ' NE2' ' HB3' ' A' ' 35' ' ' SER . 1.3 mp0 -38.87 -54.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.545 ' CD2' HG21 ' A' ' 42' ' ' VAL . 17.4 t60 -74.96 -38.4 61.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.7 mm -50.11 -57.35 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -50.92 -54.13 26.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -50.72 -42.14 56.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.545 HG21 ' CD2' ' A' ' 38' ' ' HIS . 59.2 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.7 0.208 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -147.7 175.07 11.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -125.9 85.88 2.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -53.51 -16.82 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.1 tp -82.94 -44.3 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.3 m -105.03 9.63 34.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 48.5 30.8 8.67 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -109.39 100.86 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -78.4 103.95 8.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -52.88 152.76 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 26' ' ' ARG . 51.7 p -83.26 150.4 26.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -35.29 -31.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' SER . 55.6 ttm-85 -87.2 -55.44 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.439 ' CD1' ' HB2' ' A' ' 31' ' ' ASP . 31.9 tp -43.97 167.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.7 m -143.59 151.61 40.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 tp -40.36 -46.65 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 31' ' ' ASP . 50.8 mtt180 -58.74 -69.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.439 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 75.0 m-20 -34.56 -36.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' ARG . 75.9 t60 -69.45 -69.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.494 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 16.2 pt -52.15 -18.0 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -88.38 25.53 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' LYS . 2.2 m -139.41 131.05 27.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -35.91 -41.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.889 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -40.86 -53.52 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.494 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 28.0 t60 -68.61 -57.36 5.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mp -37.66 -56.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.0 t -40.81 -59.08 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -52.29 -41.47 62.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.437 HG21 ' CD2' ' A' ' 38' ' ' HIS . 59.7 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.16 0 CA-C-O 120.704 0.21 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -133.45 179.56 6.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 2.0 t -126.49 84.82 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.0 t -53.08 -16.03 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 tp -80.99 -47.87 13.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -101.79 4.38 40.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 56.62 26.37 52.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.75 115.01 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -86.34 105.25 16.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.5 m-85 -54.34 138.0 40.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ALA . 64.9 p -74.92 153.04 38.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.56 -38.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -79.39 -62.65 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.4 tp -39.9 160.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.7 m -137.76 165.37 26.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.6 tp -54.31 -43.67 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -62.87 -62.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -42.65 -35.58 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.435 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 83.0 t60 -70.91 -69.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.49 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 27.4 pt -47.3 -22.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -90.7 32.22 0.99 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' LYS . 32.0 m -136.55 128.11 28.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -35.93 -51.51 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -38.56 -47.61 1.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.57 ' CD2' HG23 ' A' ' 42' ' ' VAL . 12.9 t60 -80.59 -37.02 32.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.2 mm -52.86 -57.59 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 t -40.63 -53.36 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -58.68 -36.69 74.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.57 HG23 ' CD2' ' A' ' 38' ' ' HIS . 57.9 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.084 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.466 -0.144 0 CA-C-O 120.766 0.236 . . . . 0.0 112.388 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -141.38 161.58 37.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -121.86 83.62 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 t -53.4 -16.07 1.27 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.7 tp -81.49 -46.32 14.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.8 m -102.77 6.21 39.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 53.32 26.3 29.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.531 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.2 t -106.64 110.95 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.381 . . . . 0.0 111.102 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -90.49 103.43 16.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.648 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -57.05 139.07 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 26' ' ' ARG . 20.4 t -79.6 153.29 29.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.41 -32.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 24' ' ' SER . 46.9 ttp180 -77.72 -54.7 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.28 161.59 6.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.4 m -132.43 170.3 15.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.539 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 3.1 tp -59.96 -33.8 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' HIS . 54.1 mtm180 -70.97 -65.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -38.81 -26.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.648 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 86.4 t60 -81.11 -69.92 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.51 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 6.6 pt -50.41 -21.8 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -90.39 19.37 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.47 147.59 51.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -48.63 -44.13 37.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -39.78 -45.14 1.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.51 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 21.0 t60 -83.17 -37.72 23.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.7 mm -53.03 -58.66 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.3 t -41.65 -57.29 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -52.44 -39.47 61.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.441 HG22 ' CD2' ' A' ' 38' ' ' HIS . 59.2 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.088 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.16 0 CA-C-O 120.758 0.232 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -141.64 172.43 12.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.0 t -121.28 91.5 3.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -61.18 -9.97 5.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.2 tp -87.87 -44.74 10.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.81 3.65 36.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 59.17 23.64 57.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.6 t -105.7 115.77 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.371 . . . . 0.0 111.123 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.2 tttt -91.72 104.57 17.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.518 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 0.7 OUTLIER -55.45 146.55 19.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' ARG . 3.4 m -88.41 153.79 20.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.07 -34.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 24' ' ' SER . 62.0 ttt180 -79.87 -55.36 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 28' ' ' SER . 37.7 tp -56.01 166.45 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.401 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 14.5 m -146.21 156.98 43.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.501 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 5.1 tp -42.69 -46.8 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.176 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 32' ' ' HIS . 63.5 mtm-85 -57.83 -73.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' ARG . 1.6 m-20 -34.95 -34.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.518 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 81.3 t60 -71.5 -69.96 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.556 HG21 ' CE1' ' A' ' 38' ' ' HIS . 31.6 pt -48.81 -21.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -88.57 28.26 1.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.3 m -132.79 132.97 42.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -40.06 -50.74 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -37.99 -50.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.556 ' CE1' HG21 ' A' ' 33' ' ' ILE . 10.6 t60 -75.38 -45.63 37.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.7 mm -42.59 -59.18 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -47.84 -51.03 24.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -52.0 -35.96 48.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.6 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.845 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 120.688 0.203 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -141.44 160.73 39.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.538 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.8 t -106.14 93.76 4.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 t -62.51 -12.0 19.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 tp -88.75 -39.76 13.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.2 m -109.89 10.77 24.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 48.22 29.69 7.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.4 t -108.53 104.97 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.389 . . . . 0.0 111.168 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -78.93 102.48 8.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.4 m-85 -54.48 130.82 41.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' ARG . 26.3 m -64.43 156.26 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.27 -24.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.3 tmt_? -93.13 -57.24 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.7 tp -44.89 157.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.4 m -134.65 153.56 51.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.404 HD11 ' CZ ' ' A' ' 23' ' ' TYR . 6.5 tp -44.98 -39.49 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 31' ' ' ASP . 47.5 mtt85 -62.65 -72.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 30' ' ' ARG . 39.3 m-20 -36.11 -37.26 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -68.57 -69.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.518 ' HA ' ' CD2' ' A' ' 38' ' ' HIS . 34.6 pt -48.91 -19.99 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -93.86 30.34 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 36' ' ' LYS . 62.5 m -135.23 127.63 30.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.815 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' SER . 2.2 ttpp -34.38 -52.79 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 20.8 mm-40 -37.2 -52.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.518 ' CD2' ' HA ' ' A' ' 33' ' ' ILE . 9.2 t60 -75.75 -36.43 59.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.6 mm -50.93 -52.44 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t -46.34 -58.06 4.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.2 tptt -50.23 -44.57 53.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.46 HG23 ' CD2' ' A' ' 38' ' ' HIS . 61.8 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.754 0.231 . . . . 0.0 112.389 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -143.72 169.47 17.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.486 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.8 t -121.67 76.41 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -45.96 -21.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.95 -48.05 22.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -102.45 5.81 39.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 52.43 26.83 23.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.9 t -105.92 86.59 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.361 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -63.76 105.72 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.486 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.8 m-85 -55.79 165.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 26' ' ' ARG . 3.9 p -102.0 156.56 17.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -38.12 -31.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 26' ' ' ARG . 11.6 ttm105 -83.89 -63.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.5 tp -40.77 162.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -138.12 144.01 40.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.416 HD13 ' CE2' ' A' ' 23' ' ' TYR . 4.0 tp -39.22 -40.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.104 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 31' ' ' ASP . 63.6 mtt85 -64.35 -70.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' ARG . 16.7 m-20 -34.67 -37.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -66.79 -70.03 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.518 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 40.6 pt -50.52 -22.55 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -88.34 27.55 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 36' ' ' LYS . 20.1 m -139.14 129.77 25.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.7 OUTLIER -34.42 -37.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -44.8 -51.27 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.518 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 33.4 t60 -71.41 -53.69 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.4 mp -43.08 -48.98 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.5 t -46.17 -49.67 16.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -63.7 -35.82 81.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.419 HG23 ' CD2' ' A' ' 38' ' ' HIS . 57.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.745 0.227 . . . . 0.0 112.394 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -145.02 164.05 32.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -122.87 71.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -39.77 -27.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 16' ' ' CYS . 9.8 tp -70.26 -46.67 63.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' CYS . 5.3 m -101.91 4.67 40.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 55.14 21.82 26.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.4 t -102.42 119.06 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 111.127 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 102.3 14.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.483 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 1.1 m-85 -52.68 160.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 26' ' ' ARG . 30.0 p -90.05 154.59 19.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -38.57 -26.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 24' ' ' SER . 4.0 tpm_? -91.06 -61.63 1.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.2 tp -40.11 155.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 m -128.13 156.39 42.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 tp -48.49 -38.27 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -66.25 -64.53 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -39.51 -32.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.483 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 78.3 t60 -73.57 -70.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.546 HG23 ' CE1' ' A' ' 38' ' ' HIS . 16.3 pt -48.42 -19.88 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -92.74 31.27 1.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' LYS . 16.7 m -138.52 130.44 28.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' SER . 2.1 ttpp -35.63 -51.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' LYS . 11.6 mm100 -37.14 -46.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.546 ' CE1' HG23 ' A' ' 33' ' ' ILE . 21.9 t60 -76.69 -60.54 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.415 HD13 ' C ' ' A' ' 35' ' ' SER . 4.5 mp -38.29 -48.14 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.8 t -48.5 -50.29 32.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -60.62 -40.19 90.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.878 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.674 0.198 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -142.55 174.51 10.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.499 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.8 t -126.25 86.95 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 t -57.88 -13.0 3.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.6 tp -83.78 -47.53 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 m -102.12 4.58 39.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 57.68 24.56 53.51 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.8 t -104.35 108.53 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -83.67 105.06 14.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.499 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -56.1 145.06 26.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 26' ' ' ARG . 1.4 t -80.91 154.91 26.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -35.99 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 24' ' ' SER . 75.5 ttt180 -89.78 -64.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 26' ' ' ARG . 44.8 tp -35.89 149.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -127.59 144.62 51.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.42 HD12 ' CE2' ' A' ' 23' ' ' TYR . 4.9 tp -39.05 -46.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.19 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -54.32 -65.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -43.86 -35.18 1.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -72.74 -69.84 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.515 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 28.1 pt -46.73 -25.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -86.94 29.66 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' LYS . 73.7 m -133.29 129.55 37.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.4 OUTLIER -34.78 -51.85 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 38' ' ' HIS . 19.0 pt20 -37.37 -47.55 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.515 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 22.5 t60 -74.24 -59.02 2.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 mp -39.43 -55.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.1 t -40.99 -54.13 2.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -56.44 -43.63 79.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.137 179.841 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.128 0 CA-C-O 120.747 0.228 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -152.92 169.69 22.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -126.21 87.66 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 t -58.65 -13.51 6.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 tp -83.95 -46.63 11.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.8 m -101.29 3.66 40.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 56.69 26.15 52.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.474 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.4 t -107.8 101.14 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -77.77 102.09 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.453 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.3 m-85 -52.32 158.39 1.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' ALA . 48.4 t -94.91 150.58 20.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.1 -37.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.066 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' SER . 61.0 ttt180 -75.88 -56.24 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 28' ' ' SER . 46.6 tp -52.9 165.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.421 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 58.6 m -140.88 152.7 45.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.791 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.433 HD12 ' CE2' ' A' ' 23' ' ' TYR . 4.0 tp -45.47 -44.24 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -59.49 -62.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.35 -37.63 1.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.425 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 85.4 t60 -67.87 -69.84 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.506 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 38.9 pt -47.04 -22.69 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -93.18 33.04 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 36' ' ' LYS . 55.8 m -137.26 127.19 25.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -34.4 -49.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -40.1 -56.37 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.506 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 10.1 t60 -69.65 -43.31 72.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.6 mm -44.84 -55.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.1 t -47.22 -56.11 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -49.61 -36.87 25.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.406 HG23 ' CD2' ' A' ' 38' ' ' HIS . 64.2 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.75 0.229 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -142.42 178.29 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -130.33 83.72 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -52.06 -16.26 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.7 tp -82.66 -46.11 13.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.2 m -101.5 4.22 40.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 54.75 26.65 40.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.7 t -108.09 106.71 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -83.53 108.39 16.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.533 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 1.0 OUTLIER -60.05 156.91 13.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 25' ' ' ALA . 11.0 t -95.0 155.6 16.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.04 -38.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 24' ' ' SER . 29.1 ttt180 -78.2 -63.83 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.9 tp -41.16 159.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.8 m -139.55 155.06 47.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.83 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 tp -43.59 -43.18 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -60.9 -65.08 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.5 -41.17 1.38 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.533 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 78.0 t60 -65.05 -70.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.518 HG21 ' CE1' ' A' ' 38' ' ' HIS . 40.9 pt -48.23 -25.95 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -86.22 30.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' LYS . 9.0 m -137.44 127.36 25.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 35' ' ' SER . 1.7 ttpt -34.6 -51.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' LYS . 59.5 mt-30 -37.15 -50.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.518 ' CE1' HG21 ' A' ' 33' ' ' ILE . 23.2 t60 -67.91 -53.69 24.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 42' ' ' VAL . 3.6 mp -43.03 -55.99 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 t -42.21 -42.45 3.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -70.0 -34.71 73.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 39' ' ' ILE . 95.5 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.694 0.206 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -140.05 175.19 9.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.7 t -125.78 83.16 2.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 t -52.74 -18.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.147 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.4 tp -77.84 -46.42 21.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.5 m -100.42 1.99 41.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 60.83 22.97 60.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.476 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.8 t -106.97 124.23 62.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.93 0.395 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -95.8 107.08 19.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.45 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.4 m-85 -54.95 141.38 33.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 26' ' ' ARG . 36.9 t -76.57 152.71 35.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.814 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -35.33 -31.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' SER . 20.9 ttm180 -87.65 -62.31 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.5 tp -41.39 162.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.8 m -140.31 163.3 33.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.8 tp -49.69 -42.73 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' ASP . 33.7 mtt-85 -60.69 -71.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' ARG . 7.1 m-20 -36.38 -34.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.417 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 86.6 t60 -70.53 -69.45 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.478 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 30.5 pt -49.09 -19.56 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -90.28 28.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 36' ' ' LYS . 73.2 m -132.94 129.22 37.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.812 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 35' ' ' SER . 23.1 tptm -35.74 -48.79 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -39.53 -52.93 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.478 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 11.4 t60 -75.92 -41.35 52.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.8 mm -46.88 -58.77 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -48.07 -53.96 14.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -49.89 -35.96 25.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.0 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.844 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.146 0 CA-C-O 120.757 0.232 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -139.96 172.45 12.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.7 t -122.03 76.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.7 t -45.01 -23.79 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.192 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.4 tp -75.79 -45.61 35.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.3 m -102.12 6.37 40.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 50.13 28.09 12.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.6 t -110.5 96.38 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 111.134 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.43 108.25 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 2.0 m-85 -57.36 144.57 35.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 26' ' ' ARG . 97.4 p -79.85 154.9 28.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -40.41 -24.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' SER . 28.7 ttt180 -91.5 -51.64 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -53.54 156.71 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 m -130.62 167.25 19.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.8 tp -60.76 -30.14 46.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.152 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.6 mtm-85 -73.85 -65.38 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -40.85 -34.99 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -73.35 -70.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.826 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.519 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 17.8 pt -50.08 -23.51 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -87.13 26.31 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.461 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 7.2 t -138.49 153.17 48.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' GLN . 1.6 tppp? -51.94 -46.65 64.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.408 ' CG ' ' N ' ' A' ' 38' ' ' HIS . 12.3 pt20 -37.19 -46.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.519 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 53.1 t60 -76.24 -57.26 3.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.461 ' CD1' ' O ' ' A' ' 35' ' ' SER . 3.1 mp -40.98 -57.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' ILE . 11.2 t -38.04 -57.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -56.57 -36.0 68.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' ILE . 66.5 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.721 0.217 . . . . 0.0 112.297 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -148.18 162.9 38.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -118.96 83.17 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -53.56 -15.76 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.9 tp -81.76 -47.06 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 m -102.42 5.36 39.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 54.85 26.38 40.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -106.59 107.41 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -84.51 112.15 20.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -64.92 159.38 22.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ALA . 2.0 p -93.73 153.06 18.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.13 -40.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.092 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -76.02 -57.2 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.409 ' CD1' ' HB2' ' A' ' 31' ' ' ASP . 28.3 tp -44.85 166.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.7 m -145.05 147.11 32.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 tp -39.4 -39.15 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' ASP . 53.7 mtm-85 -62.99 -67.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 14.5 m-20 -37.41 -39.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -66.87 -69.92 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.541 HG23 ' CE1' ' A' ' 38' ' ' HIS . 26.0 pt -50.37 -24.77 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -84.57 25.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 36' ' ' LYS . 56.4 m -136.73 128.33 28.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -34.43 -44.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -39.41 -53.37 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.541 ' CE1' HG23 ' A' ' 33' ' ' ILE . 22.6 t60 -67.08 -56.39 10.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' VAL . 4.2 mp -40.38 -59.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.5 t -38.58 -48.51 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -63.11 -39.56 95.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.45 HG22 ' CD2' ' A' ' 38' ' ' HIS . 51.3 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.733 0.222 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -145.7 170.13 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -124.9 77.06 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -47.82 -20.69 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.7 tp -76.36 -47.89 21.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 m -102.71 6.54 39.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 53.37 24.37 22.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.3 t -104.31 97.64 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 111.172 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -74.78 111.39 9.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.427 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.2 m-85 -63.35 167.57 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 26' ' ' ARG . 2.7 m -101.55 159.24 15.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -38.39 -30.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' LEU . 55.7 ttt180 -85.27 -69.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' ARG . 31.6 tp -37.11 155.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.3 m -131.97 148.84 52.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.5 tp -41.78 -35.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.156 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.8 mtt-85 -68.12 -60.42 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -45.4 -34.32 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 35' ' ' SER . 82.9 t60 -71.34 -70.02 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.511 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 47.7 pt -44.91 -25.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -87.74 24.16 1.81 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' HIS . 2.5 t -127.92 148.01 50.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -51.9 -52.77 47.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' A' ' 38' ' ' HIS . 11.4 pt20 -36.95 -44.34 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.511 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 23.3 t60 -76.95 -47.25 21.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.5 mm -42.46 -61.84 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -42.48 -53.13 4.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -52.88 -44.0 66.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.458 HG22 ' CD2' ' A' ' 38' ' ' HIS . 60.4 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.12 0 CA-C-O 120.734 0.222 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -145.74 165.57 28.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.9 t -117.25 97.67 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 t -69.87 -7.7 42.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.0 tp -90.44 -42.56 10.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -104.41 7.38 35.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.26 18.6 29.04 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.449 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -102.36 111.92 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -91.27 107.03 18.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -53.73 153.79 4.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.7 t -88.62 166.87 13.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.67 -17.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -100.77 -62.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.45 ' CD1' ' HB2' ' A' ' 31' ' ' ASP . 46.7 tp -41.95 164.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.4 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 15.7 m -139.98 164.75 29.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 tp -54.02 -35.07 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 32' ' ' HIS . 6.5 mpt_? -67.44 -67.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.45 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 44.4 m-20 -38.79 -30.49 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 30' ' ' ARG . 82.8 t60 -77.46 -70.12 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.827 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.507 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 16.2 pt -50.81 -18.96 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -90.95 24.93 2.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 36' ' ' LYS . 43.2 m -138.77 130.2 27.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 35' ' ' SER . 16.5 tttp -33.54 -43.32 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -39.6 -56.43 1.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.507 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 26.6 t60 -67.62 -57.64 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 mp -37.75 -45.63 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 t -48.58 -58.1 5.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -55.44 -38.59 69.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.9 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.904 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.23 0.101 0 CA-C-O 120.728 0.22 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -138.58 170.83 15.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -129.17 73.55 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -44.69 -23.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.3 tp -71.85 -48.07 48.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -102.41 5.18 39.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 58.81 15.73 28.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.33 121.82 47.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.917 0.389 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.99 101.74 13.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.46 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 1.2 m-85 -52.98 164.45 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 26' ' ' ARG . 20.4 t -102.99 158.19 16.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -37.37 -28.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.072 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 24' ' ' SER . 22.5 tpt180 -87.62 -68.45 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 26' ' ' ARG . 30.1 tp -38.98 159.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -136.17 149.83 48.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.7 tp -41.41 -43.06 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.142 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' HIS . 63.1 mtt180 -63.16 -68.92 0.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -38.68 -28.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.46 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 73.9 t60 -77.12 -70.04 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.511 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 21.9 pt -45.72 -23.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -87.06 28.25 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 36' ' ' LYS . 69.5 m -131.95 129.28 40.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 35' ' ' SER . 19.8 tttt -35.49 -45.49 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -41.91 -52.52 4.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.511 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 17.6 t60 -74.17 -44.66 52.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.4 mm -43.48 -58.66 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -48.22 -50.85 27.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -55.45 -33.68 63.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.461 HG23 ' CD2' ' A' ' 38' ' ' HIS . 62.2 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 N--CA 1.466 -0.113 0 CA-C-O 120.711 0.213 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -147.25 166.16 27.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.4 t -123.86 78.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.7 t -51.78 -16.77 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 tp -78.69 -48.02 15.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.4 m -101.47 5.0 41.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 60.79 18.69 53.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.7 t -99.8 113.8 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.22 102.16 14.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.402 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 0.4 OUTLIER -54.84 164.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.0 t -99.58 174.56 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.19 -17.38 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.069 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -98.58 -60.96 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.413 ' CD1' ' HB2' ' A' ' 31' ' ' ASP . 35.3 tp -45.34 154.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' ILE . 19.8 m -132.31 148.25 52.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 28' ' ' SER . 5.4 tp -36.87 -45.65 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -57.13 -68.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' ARG . 77.8 m-20 -35.98 -40.81 0.21 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.402 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 86.4 t60 -67.32 -70.66 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.525 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 18.4 pt -49.61 -23.19 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -88.15 29.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 36' ' ' LYS . 51.7 m -136.18 127.55 28.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -34.14 -51.03 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 48.6 mm-40 -37.11 -54.02 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 8.9 t60 -72.98 -36.1 67.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.1 mm -51.07 -54.36 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 t -48.79 -43.05 37.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -63.64 -37.14 86.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.519 HG23 ' CD2' ' A' ' 38' ' ' HIS . 61.1 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -133.91 144.63 48.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.85 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -89.67 -49.28 6.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.84 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.83 147.12 7.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.0 p -116.57 171.65 7.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -112.89 135.23 53.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.76 50.32 0.85 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 164.89 117.65 0.41 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.446 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.0 p -99.07 148.69 23.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 111.143 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -145.4 130.34 18.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.56 70.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 p -92.16 37.51 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.371 . . . . 0.0 111.189 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -41.77 144.73 0.77 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.528 0.68 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 92.59 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.636 2.224 . . . . 0.0 112.325 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -144.65 169.17 18.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -122.21 73.04 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 t -41.04 -27.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 tp -70.01 -48.26 58.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.2 m -103.5 7.6 37.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 49.09 29.04 8.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.448 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 82.4 t -105.86 84.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 111.167 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 109.03 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 2.0 m-85 -59.74 145.99 43.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 26' ' ' ARG . 58.3 m -81.59 149.33 28.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.96 -32.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.065 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.6 tpm_? -84.09 -59.83 2.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 28' ' ' SER . 44.1 tp -44.77 167.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.427 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 15.9 m -142.34 158.06 44.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.6 tp -50.33 -40.6 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -62.91 -59.99 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -45.87 -35.36 4.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -71.91 -69.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.503 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 44.9 pt -47.79 -22.58 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -93.25 33.83 1.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' LYS . 2.8 m -144.45 131.15 20.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -34.38 -44.5 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -40.22 -50.61 2.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.513 ' CD2' HG22 ' A' ' 42' ' ' VAL . 20.7 t60 -75.29 -59.46 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.7 mp -38.73 -56.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 t -40.73 -55.94 2.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -56.06 -36.56 68.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.513 HG22 ' CD2' ' A' ' 38' ' ' HIS . 48.7 t -72.13 -25.15 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -84.12 -32.24 24.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 45' ' ' THR . 17.7 mm-40 -86.65 -53.18 5.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 44' ' ' GLU . 14.6 t -34.09 -38.31 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.192 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 47' ' ' GLY . 4.0 p -112.7 -48.81 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' N ' HG13 ' A' ' 46' ' ' VAL . . . 120.21 153.9 9.28 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -100.73 -42.75 6.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -45.55 134.85 6.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.6 pp -72.55 167.15 21.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 p-10 -85.56 153.42 22.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -44.27 -67.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -101.58 131.12 47.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -89.29 150.16 22.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.6 t0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.91 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 p -167.68 145.8 4.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.829 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.7 t -120.57 -55.37 2.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.27 80.62 1.06 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 m -56.25 -51.12 69.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.84 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.7 m 46.0 39.25 5.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.33 117.73 3.43 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.39 171.83 20.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.9 t -105.0 126.03 51.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 111.165 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -99.59 90.73 4.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -138.67 161.67 25.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.4 p -133.67 148.62 51.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 111.146 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -135.57 148.63 66.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 92.62 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -144.14 170.4 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -122.9 79.62 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 t -48.39 -22.11 0.65 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 tp -75.45 -45.8 36.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.3 m -103.02 5.84 38.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 55.92 19.84 23.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.517 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.4 t -101.15 119.35 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -91.78 108.36 19.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CE2' HD13 ' A' ' 29' ' ' ILE . 1.7 m-85 -58.38 154.5 13.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 26' ' ' ARG . 80.2 p -88.64 151.85 22.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.75 -32.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' SER . 44.1 ttp180 -84.94 -57.87 2.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.1 tp -46.99 159.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.8 m -135.79 154.04 51.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.469 HD13 ' CE2' ' A' ' 23' ' ' TYR . 6.1 tp -44.6 -44.94 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' HIS . 35.5 mtm180 -62.7 -66.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -39.95 -26.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' ARG . 78.6 t60 -79.37 -64.1 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.5 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 13.9 pt -54.7 -17.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -90.95 25.88 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.4 m -131.32 133.91 45.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.82 -45.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -41.91 -57.44 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.553 ' CD2' HG22 ' A' ' 42' ' ' VAL . 14.1 t60 -69.38 -41.31 76.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.9 mm -46.33 -54.53 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.3 t -45.43 -57.69 3.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -50.5 -42.58 54.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.553 HG22 ' CD2' ' A' ' 38' ' ' HIS . 61.6 t -65.86 -25.49 36.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.073 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 75.7 mmt-85 -85.04 -36.06 21.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' THR . 63.0 mm-40 -74.44 -53.7 9.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 46' ' ' VAL . 11.0 t -37.23 -37.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.434 ' N ' HG23 ' A' ' 45' ' ' THR . 7.7 p -125.54 124.79 67.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 48' ' ' SER . . . -127.66 46.54 1.07 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.483 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' GLY . 15.2 t -34.75 124.22 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 110.866 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -100.05 110.76 23.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.15 139.79 54.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 52' ' ' ARG . 69.2 m-20 -112.15 177.71 4.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' ASP . 5.9 ttm105 -35.03 114.27 0.23 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -124.24 149.18 46.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -128.3 99.87 5.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.889 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.531 -0.227 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -104.35 152.11 22.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.913 0.387 . . . . 0.0 110.87 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.6 p -82.5 164.44 20.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.844 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.13 76.13 0.12 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 m -153.43 168.52 25.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.862 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -127.51 83.21 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.21 -177.6 48.25 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.67 179.68 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.2 p -143.66 148.21 35.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.818 0.342 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.12 143.52 52.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 131.53 70.99 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.528 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.0 p -97.38 82.05 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 111.148 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.3 mmtt -110.76 158.85 34.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.553 0.692 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 92.61 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.639 2.226 . . . . 0.0 112.34 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -136.06 175.59 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -126.55 85.82 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 t -53.8 -19.35 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 tp -79.36 -44.59 21.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.4 m -103.62 7.38 37.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 52.55 22.83 12.02 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.25 113.06 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.923 0.392 . . . . 0.0 111.124 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -88.68 103.63 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.578 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 1.4 m-85 -54.29 151.74 7.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 25' ' ' ALA . 16.4 p -87.46 158.37 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.03 -47.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 27' ' ' LEU . 20.9 tpp180 -72.44 -68.47 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' ARG . 32.5 tp -34.31 146.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 29' ' ' ILE . 15.3 m -125.44 146.07 49.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.411 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 4.8 tp -37.57 -38.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -66.16 -61.61 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -44.63 -26.22 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.578 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 76.7 t60 -80.99 -70.07 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.514 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 17.7 pt -44.07 -22.7 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -91.95 33.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' LYS . 69.8 m -134.4 130.35 36.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' SER . 1.2 tmtp? -34.64 -51.26 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.429 ' NE2' ' HB3' ' A' ' 35' ' ' SER . 1.3 mp0 -38.87 -54.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.545 ' CD2' HG21 ' A' ' 42' ' ' VAL . 17.4 t60 -74.96 -38.4 61.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.7 mm -50.11 -57.35 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -50.92 -54.13 26.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -50.72 -42.14 56.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.545 HG21 ' CD2' ' A' ' 38' ' ' HIS . 59.2 t -62.67 -41.5 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -68.02 -35.75 78.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -63.81 -60.74 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.7 t -52.84 -43.35 65.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.9 p -137.67 133.06 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.19 -178.85 18.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.7 m -112.43 83.38 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.339 . . . . 0.0 110.822 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -82.45 -58.36 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.17 13.63 7.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -107.91 119.9 40.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.29 158.3 44.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -146.12 123.8 11.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -120.73 111.84 18.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.5 p -125.72 145.79 50.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.809 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 m -82.82 163.88 20.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.02 120.1 6.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -120.58 151.98 38.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.386 . . . . 0.0 110.839 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -70.9 131.63 44.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.92 160.69 5.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.64 -79.33 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.449 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.0 t -50.22 127.05 16.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.349 . . . . 0.0 111.132 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -124.63 162.1 24.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -44.85 134.79 7.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.411 ' CG2' ' O ' ' A' ' 12' ' ' THR . 9.9 t -84.49 94.04 8.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 111.165 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -150.22 154.7 36.66 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.585 0.707 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 92.61 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -147.7 175.07 11.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -125.9 85.88 2.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -53.51 -16.82 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.1 tp -82.94 -44.3 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.3 m -105.03 9.63 34.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 48.5 30.8 8.67 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -109.39 100.86 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -78.4 103.95 8.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -52.88 152.76 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 26' ' ' ARG . 51.7 p -83.26 150.4 26.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -35.29 -31.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' SER . 55.6 ttm-85 -87.2 -55.44 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.439 ' CD1' ' HB2' ' A' ' 31' ' ' ASP . 31.9 tp -43.97 167.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.7 m -143.59 151.61 40.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 tp -40.36 -46.65 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 31' ' ' ASP . 50.8 mtt180 -58.74 -69.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.439 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 75.0 m-20 -34.56 -36.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' ARG . 75.9 t60 -69.45 -69.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.494 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 16.2 pt -52.15 -18.0 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -88.38 25.53 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' LYS . 2.2 m -139.41 131.05 27.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -35.91 -41.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.889 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -40.86 -53.52 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.494 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 28.0 t60 -68.61 -57.36 5.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mp -37.66 -56.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.0 t -40.81 -59.08 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -52.29 -41.47 62.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.437 HG21 ' CD2' ' A' ' 38' ' ' HIS . 59.7 t -62.31 -44.88 99.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -64.3 -32.77 74.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -64.57 -59.46 4.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.47 HG22 ' N ' ' A' ' 46' ' ' VAL . 6.6 t -52.96 -44.72 67.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.47 ' N ' HG22 ' A' ' 45' ' ' THR . 5.7 p -140.01 135.23 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -129.84 179.76 16.58 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 m -69.15 104.24 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -53.74 -43.09 68.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.7 tt -63.05 95.91 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -92.61 -25.61 18.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -41.96 125.22 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -83.62 141.87 31.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -142.23 148.02 37.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.853 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 m -53.82 -48.3 70.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.847 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -72.5 153.22 41.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.04 120.39 6.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.0 p -106.86 -45.68 4.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 t -44.4 150.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.53 157.5 7.29 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.25 106.2 0.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.414 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 m -64.17 121.46 14.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.763 0.316 . . . . 0.0 111.195 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.78 121.58 8.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.3 112.65 0.76 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.0 p -130.9 -31.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 0.0 111.166 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -87.65 154.41 53.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 92.48 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.735 2.29 . . . . 0.0 112.342 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -133.45 179.56 6.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 2.0 t -126.49 84.82 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.0 t -53.08 -16.03 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 tp -80.99 -47.87 13.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -101.79 4.38 40.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 56.62 26.37 52.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.75 115.01 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 111.134 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -86.34 105.25 16.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.5 m-85 -54.34 138.0 40.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ALA . 64.9 p -74.92 153.04 38.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.56 -38.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -79.39 -62.65 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.4 tp -39.9 160.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.7 m -137.76 165.37 26.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.6 tp -54.31 -43.67 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -62.87 -62.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -42.65 -35.58 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.435 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 83.0 t60 -70.91 -69.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.49 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 27.4 pt -47.3 -22.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -90.7 32.22 0.99 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' LYS . 32.0 m -136.55 128.11 28.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -35.93 -51.51 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -38.56 -47.61 1.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.57 ' CD2' HG23 ' A' ' 42' ' ' VAL . 12.9 t60 -80.59 -37.02 32.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.2 mm -52.86 -57.59 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 t -40.63 -53.36 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -58.68 -36.69 74.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.57 HG23 ' CD2' ' A' ' 38' ' ' HIS . 57.9 t -71.81 -29.59 34.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.084 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.1 mmt-85 -85.41 -26.6 26.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -76.12 -33.41 59.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 t -72.82 -43.77 62.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 47' ' ' GLY . 6.8 p -127.91 -50.71 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.416 ' N ' HG13 ' A' ' 46' ' ' VAL . . . 97.99 -150.48 19.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.3 p -95.51 98.9 10.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 0.0 110.861 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -106.53 121.64 44.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.2 mt -94.9 120.9 35.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.22 41.6 3.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -98.91 102.58 14.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -70.17 84.96 0.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -61.48 128.77 37.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.879 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -107.34 -59.2 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.859 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.4 p -48.84 126.46 12.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.24 63.24 0.32 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -51.56 110.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.361 . . . . 0.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -95.34 152.14 18.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.69 89.44 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.01 124.99 3.71 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 m -100.87 123.23 44.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.798 0.333 . . . . 0.0 111.137 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -110.09 160.43 16.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -161.54 160.16 31.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.457 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.6 p -101.31 87.26 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 111.144 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -106.62 143.9 27.94 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.576 0.703 . . . . 0.0 110.922 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 92.6 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.388 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -141.38 161.58 37.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -121.86 83.62 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 t -53.4 -16.07 1.27 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.7 tp -81.49 -46.32 14.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.8 m -102.77 6.21 39.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 53.32 26.3 29.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.531 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.2 t -106.64 110.95 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.381 . . . . 0.0 111.102 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -90.49 103.43 16.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.648 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -57.05 139.07 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 26' ' ' ARG . 20.4 t -79.6 153.29 29.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.41 -32.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 24' ' ' SER . 46.9 ttp180 -77.72 -54.7 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.28 161.59 6.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.4 m -132.43 170.3 15.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.539 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 3.1 tp -59.96 -33.8 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' HIS . 54.1 mtm180 -70.97 -65.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -38.81 -26.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.648 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 86.4 t60 -81.11 -69.92 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.51 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 6.6 pt -50.41 -21.8 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -90.39 19.37 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.47 147.59 51.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -48.63 -44.13 37.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -39.78 -45.14 1.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.51 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 21.0 t60 -83.17 -37.72 23.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.7 mm -53.03 -58.66 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.3 t -41.65 -57.29 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -52.44 -39.47 61.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.441 HG22 ' CD2' ' A' ' 38' ' ' HIS . 59.2 t -66.64 -38.26 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.088 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -76.71 -19.91 57.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.813 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -83.73 -56.49 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 46' ' ' VAL . 10.8 t -42.98 -35.59 1.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.432 ' N ' HG22 ' A' ' 45' ' ' THR . 7.1 p -133.71 117.86 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -177.38 -44.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.6 p -100.95 168.25 9.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -48.95 160.49 0.19 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.601 ' N ' ' CD1' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -130.8 3.31 4.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.06 -18.63 53.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.5 mmt-85 -122.21 143.73 49.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -111.26 142.92 42.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -62.26 -51.69 66.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.0 m -121.79 86.8 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.924 0.392 . . . . 0.0 110.862 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 t -174.9 135.29 0.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.819 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.06 143.66 16.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 p -44.97 -44.17 9.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 p -89.94 150.84 21.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.99 83.83 0.12 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.37 -98.63 0.11 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.473 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.9 p -58.25 98.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.776 0.322 . . . . 0.0 111.153 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -58.76 -48.07 82.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 62.37 104.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.8 p -95.17 129.84 42.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 111.118 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -50.71 148.47 7.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.627 0.727 . . . . 0.0 110.83 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 92.52 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.683 2.255 . . . . 0.0 112.372 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -141.64 172.43 12.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.0 t -121.28 91.5 3.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -61.18 -9.97 5.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.2 tp -87.87 -44.74 10.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.81 3.65 36.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 59.17 23.64 57.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.6 t -105.7 115.77 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.371 . . . . 0.0 111.123 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.2 tttt -91.72 104.57 17.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.518 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 0.7 OUTLIER -55.45 146.55 19.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' ARG . 3.4 m -88.41 153.79 20.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.07 -34.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 24' ' ' SER . 62.0 ttt180 -79.87 -55.36 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 28' ' ' SER . 37.7 tp -56.01 166.45 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.401 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 14.5 m -146.21 156.98 43.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.501 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 5.1 tp -42.69 -46.8 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.176 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 32' ' ' HIS . 63.5 mtm-85 -57.83 -73.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' ARG . 1.6 m-20 -34.95 -34.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.518 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 81.3 t60 -71.5 -69.96 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.556 HG21 ' CE1' ' A' ' 38' ' ' HIS . 31.6 pt -48.81 -21.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -88.57 28.26 1.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.3 m -132.79 132.97 42.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -40.06 -50.74 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -37.99 -50.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.556 ' CE1' HG21 ' A' ' 33' ' ' ILE . 10.6 t60 -75.38 -45.63 37.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.7 mm -42.59 -59.18 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -47.84 -51.03 24.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -52.0 -35.96 48.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.6 t -73.42 -33.92 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.0 mtp-105 -78.53 -21.35 48.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -92.85 -48.92 6.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 t -40.37 -32.01 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 p -114.13 -39.59 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -99.44 90.62 0.98 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.1 p -118.34 152.36 35.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -101.4 89.1 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.416 HD13 ' N ' ' A' ' 51' ' ' ASP . 2.2 pp -132.95 170.77 14.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' N ' HD13 ' A' ' 50' ' ' LEU . 50.7 m-20 -91.76 97.89 11.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -100.3 119.6 38.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -52.23 126.24 18.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -101.86 105.18 15.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.819 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -133.44 158.68 42.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.7 p -166.02 167.86 16.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.68 52.28 0.58 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -110.72 99.15 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.844 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 t -173.68 141.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.26 -111.56 0.3 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.15 140.37 3.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.437 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.77 108.2 12.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.332 . . . . 0.0 111.142 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -134.87 168.7 18.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 145.61 165.17 11.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.3 t -83.66 82.06 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 111.17 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -108.48 146.14 33.04 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.574 0.702 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 92.53 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -141.44 160.73 39.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.538 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.8 t -106.14 93.76 4.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 t -62.51 -12.0 19.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 tp -88.75 -39.76 13.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.2 m -109.89 10.77 24.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 48.22 29.69 7.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.4 t -108.53 104.97 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.389 . . . . 0.0 111.168 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -78.93 102.48 8.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.4 m-85 -54.48 130.82 41.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' ARG . 26.3 m -64.43 156.26 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.27 -24.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.3 tmt_? -93.13 -57.24 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.7 tp -44.89 157.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.4 m -134.65 153.56 51.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.404 HD11 ' CZ ' ' A' ' 23' ' ' TYR . 6.5 tp -44.98 -39.49 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 31' ' ' ASP . 47.5 mtt85 -62.65 -72.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 30' ' ' ARG . 39.3 m-20 -36.11 -37.26 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -68.57 -69.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.518 ' HA ' ' CD2' ' A' ' 38' ' ' HIS . 34.6 pt -48.91 -19.99 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -93.86 30.34 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 36' ' ' LYS . 62.5 m -135.23 127.63 30.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.815 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' SER . 2.2 ttpp -34.38 -52.79 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 20.8 mm-40 -37.2 -52.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.518 ' CD2' ' HA ' ' A' ' 33' ' ' ILE . 9.2 t60 -75.75 -36.43 59.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.6 mm -50.93 -52.44 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t -46.34 -58.06 4.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.2 tptt -50.23 -44.57 53.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.46 HG23 ' CD2' ' A' ' 38' ' ' HIS . 61.8 t -61.26 -29.28 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -82.19 -26.22 33.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' THR . 17.6 mt-10 -84.64 -56.96 3.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 44' ' ' GLU . 5.8 t -34.48 -43.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.434 ' N ' ' CG2' ' A' ' 45' ' ' THR . 5.6 p -99.89 -43.14 10.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.403 ' N ' HG11 ' A' ' 46' ' ' VAL . . . 71.35 140.97 0.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.509 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 t -132.65 85.54 2.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.342 . . . . 0.0 110.788 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -86.79 106.06 17.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 tp -107.6 111.86 24.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -63.77 99.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -124.97 146.26 49.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -38.6 98.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -79.88 142.32 35.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.849 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m 50.44 42.01 25.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m 56.6 42.31 27.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.93 103.76 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 p -121.47 -46.06 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -130.93 133.07 45.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.15 -171.2 12.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -139.78 40.66 1.39 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -89.04 36.49 0.82 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.733 0.302 . . . . 0.0 111.114 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.81 38.14 4.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.44 -60.07 2.92 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.6 p -72.65 74.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.088 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -157.82 145.06 13.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.549 0.69 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 92.55 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.641 2.227 . . . . 0.0 112.389 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -143.72 169.47 17.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.486 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.8 t -121.67 76.41 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -45.96 -21.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.95 -48.05 22.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -102.45 5.81 39.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 52.43 26.83 23.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.9 t -105.92 86.59 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.361 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -63.76 105.72 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.486 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.8 m-85 -55.79 165.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 26' ' ' ARG . 3.9 p -102.0 156.56 17.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -38.12 -31.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 26' ' ' ARG . 11.6 ttm105 -83.89 -63.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.5 tp -40.77 162.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -138.12 144.01 40.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.416 HD13 ' CE2' ' A' ' 23' ' ' TYR . 4.0 tp -39.22 -40.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.104 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 31' ' ' ASP . 63.6 mtt85 -64.35 -70.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' ARG . 16.7 m-20 -34.67 -37.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -66.79 -70.03 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.518 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 40.6 pt -50.52 -22.55 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -88.34 27.55 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 36' ' ' LYS . 20.1 m -139.14 129.77 25.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.7 OUTLIER -34.42 -37.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -44.8 -51.27 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.518 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 33.4 t60 -71.41 -53.69 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.4 mp -43.08 -48.98 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.5 t -46.17 -49.67 16.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -63.7 -35.82 81.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.419 HG23 ' CD2' ' A' ' 38' ' ' HIS . 57.5 t -68.34 -27.53 37.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -82.26 -37.54 25.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 46' ' ' VAL . 4.5 mm-40 -78.26 -53.45 7.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 44' ' ' GLU . 5.3 t -34.7 -32.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' GLU . 1.8 p -118.75 111.49 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.173 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.54 165.23 5.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.531 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 49' ' ' GLN . 17.1 m -145.6 174.58 11.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.87 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' SER . 33.6 tp60 -36.74 98.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.91 148.62 50.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -128.44 -29.54 2.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.425 ' C ' ' HD3' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -121.63 -35.8 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -62.2 160.67 12.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -103.76 -53.99 2.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.855 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 m -55.59 127.03 27.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.829 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 t -153.78 112.13 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.31 99.54 0.18 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -105.82 84.9 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.843 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -125.24 88.92 2.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.827 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.24 83.56 0.13 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.44 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.52 -38.52 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.8 m -82.81 39.71 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 111.161 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -126.13 112.51 15.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.85 161.48 35.02 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.9 p -74.14 81.73 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 111.165 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -69.68 150.82 96.66 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.534 0.683 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 92.53 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.699 2.266 . . . . 0.0 112.394 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -145.02 164.05 32.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -122.87 71.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -39.77 -27.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 16' ' ' CYS . 9.8 tp -70.26 -46.67 63.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' CYS . 5.3 m -101.91 4.67 40.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 55.14 21.82 26.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.4 t -102.42 119.06 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 111.127 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 102.3 14.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.483 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 1.1 m-85 -52.68 160.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 26' ' ' ARG . 30.0 p -90.05 154.59 19.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -38.57 -26.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 24' ' ' SER . 4.0 tpm_? -91.06 -61.63 1.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.2 tp -40.11 155.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 m -128.13 156.39 42.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 tp -48.49 -38.27 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -66.25 -64.53 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -39.51 -32.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.483 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 78.3 t60 -73.57 -70.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.546 HG23 ' CE1' ' A' ' 38' ' ' HIS . 16.3 pt -48.42 -19.88 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -92.74 31.27 1.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' LYS . 16.7 m -138.52 130.44 28.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' SER . 2.1 ttpp -35.63 -51.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' LYS . 11.6 mm100 -37.14 -46.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.546 ' CE1' HG23 ' A' ' 33' ' ' ILE . 21.9 t60 -76.69 -60.54 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.415 HD13 ' C ' ' A' ' 35' ' ' SER . 4.5 mp -38.29 -48.14 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.8 t -48.5 -50.29 32.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -60.62 -40.19 90.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.02 -49.46 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -56.87 -49.24 76.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.41 -57.97 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.2 p -43.73 -51.86 6.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.3 p -125.15 124.84 68.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -161.79 107.48 0.31 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.3 t -73.91 109.47 7.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.785 0.326 . . . . 0.0 110.848 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -83.32 91.97 7.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' ASP . 80.6 mt -116.95 -44.24 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' LEU . 8.0 t0 -34.91 116.71 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -52.87 144.1 15.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -88.64 105.16 17.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 55' ' ' ASP . 1.9 mmpt? -93.1 -67.3 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 54' ' ' LYS . 8.7 t70 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -152.78 151.86 30.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 t -173.7 168.6 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.03 -164.19 12.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -125.06 134.93 52.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 110.834 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -105.57 114.51 28.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.61 -166.78 34.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 169.05 -168.91 41.55 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.2 t -94.89 146.43 24.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.759 0.314 . . . . 0.0 111.179 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -85.62 114.0 22.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.11 142.71 21.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.5 p -95.51 92.91 6.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.371 . . . . 0.0 111.148 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.461 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 15.9 ttmm -89.29 140.62 28.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 13' ' ' LYS . 54.1 Cg_endo -69.7 92.47 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -142.55 174.51 10.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.499 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.8 t -126.25 86.95 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 t -57.88 -13.0 3.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.6 tp -83.78 -47.53 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 m -102.12 4.58 39.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 57.68 24.56 53.51 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.8 t -104.35 108.53 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -83.67 105.06 14.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.499 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -56.1 145.06 26.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 26' ' ' ARG . 1.4 t -80.91 154.91 26.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -35.99 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 24' ' ' SER . 75.5 ttt180 -89.78 -64.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 26' ' ' ARG . 44.8 tp -35.89 149.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -127.59 144.62 51.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.42 HD12 ' CE2' ' A' ' 23' ' ' TYR . 4.9 tp -39.05 -46.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.19 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -54.32 -65.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -43.86 -35.18 1.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -72.74 -69.84 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.515 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 28.1 pt -46.73 -25.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -86.94 29.66 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' LYS . 73.7 m -133.29 129.55 37.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.4 OUTLIER -34.78 -51.85 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 38' ' ' HIS . 19.0 pt20 -37.37 -47.55 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.515 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 22.5 t60 -74.24 -59.02 2.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 mp -39.43 -55.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.1 t -40.99 -54.13 2.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -56.44 -43.63 79.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.7 t -62.03 -33.51 58.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.137 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -77.18 -23.73 51.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -81.0 -55.83 4.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.445 HG23 ' N ' ' A' ' 46' ' ' VAL . 14.7 t -48.23 -37.66 16.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.445 ' N ' HG23 ' A' ' 45' ' ' THR . 3.4 p -132.53 129.69 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.91 38.72 0.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.7 t -145.45 110.55 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.854 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -90.27 51.88 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.5 tp -113.03 -48.49 2.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.01 156.69 38.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.9 mtm-85 -131.16 101.21 5.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -101.76 78.39 1.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -128.46 83.09 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.868 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 t -43.43 110.25 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 110.829 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.9 p -141.87 128.33 20.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.24 164.18 24.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 p -75.66 117.72 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.7 p -102.15 121.84 42.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.86 155.25 42.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.46 -45.64 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.9 m -58.19 142.35 47.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.333 . . . . 0.0 111.142 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -83.12 95.49 8.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.65 -100.98 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.534 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.4 p -113.93 143.41 44.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.153 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.463 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 7.8 ttmm -81.86 140.64 47.04 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.542 0.687 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 13' ' ' LYS . 54.0 Cg_endo -69.74 92.56 0.51 Allowed 'Trans proline' 0 N--CA 1.466 -0.128 0 C-N-CA 122.713 2.276 . . . . 0.0 112.341 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -152.92 169.69 22.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -126.21 87.66 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 t -58.65 -13.51 6.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 tp -83.95 -46.63 11.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.8 m -101.29 3.66 40.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 56.69 26.15 52.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.474 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.4 t -107.8 101.14 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -77.77 102.09 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.453 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.3 m-85 -52.32 158.39 1.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' ALA . 48.4 t -94.91 150.58 20.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.1 -37.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.066 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' SER . 61.0 ttt180 -75.88 -56.24 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 28' ' ' SER . 46.6 tp -52.9 165.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.421 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 58.6 m -140.88 152.7 45.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.791 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.433 HD12 ' CE2' ' A' ' 23' ' ' TYR . 4.0 tp -45.47 -44.24 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -59.49 -62.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.35 -37.63 1.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.425 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 85.4 t60 -67.87 -69.84 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.506 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 38.9 pt -47.04 -22.69 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -93.18 33.04 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 36' ' ' LYS . 55.8 m -137.26 127.19 25.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -34.4 -49.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -40.1 -56.37 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.506 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 10.1 t60 -69.65 -43.31 72.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.6 mm -44.84 -55.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.1 t -47.22 -56.11 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -49.61 -36.87 25.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.406 HG23 ' CD2' ' A' ' 38' ' ' HIS . 64.2 t -71.65 -30.78 39.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -80.93 -27.9 35.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' VAL . 4.4 mm-40 -87.1 -50.99 6.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' GLU . 4.3 t -36.67 -32.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 44' ' ' GLU . 6.9 p -116.88 -37.93 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.12 69.6 3.23 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.4 p -115.49 -46.24 2.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.848 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -57.26 97.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 tt -46.89 132.42 11.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 52' ' ' ARG . 37.9 t0 -104.82 140.16 38.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.472 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -124.75 163.39 22.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.414 ' OE2' ' C ' ' A' ' 52' ' ' ARG . 2.0 mp0 -132.87 176.79 8.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.98 126.28 26.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t 59.83 42.0 17.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.855 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -143.27 152.33 41.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.52 172.77 27.84 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -88.71 -45.75 9.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 p 44.45 42.36 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.39 -161.91 20.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.5 114.34 1.84 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.1 m -103.58 106.71 17.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 111.14 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.0 44.96 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.8 165.87 28.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.5 t -116.12 134.57 54.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.191 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -133.17 154.55 81.23 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.614 0.721 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 92.6 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -142.42 178.29 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -130.33 83.72 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -52.06 -16.26 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.7 tp -82.66 -46.11 13.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.2 m -101.5 4.22 40.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 54.75 26.65 40.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.7 t -108.09 106.71 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -83.53 108.39 16.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.533 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 1.0 OUTLIER -60.05 156.91 13.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 25' ' ' ALA . 11.0 t -95.0 155.6 16.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.04 -38.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 24' ' ' SER . 29.1 ttt180 -78.2 -63.83 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.9 tp -41.16 159.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.8 m -139.55 155.06 47.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.83 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 tp -43.59 -43.18 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -60.9 -65.08 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.5 -41.17 1.38 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.533 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 78.0 t60 -65.05 -70.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.518 HG21 ' CE1' ' A' ' 38' ' ' HIS . 40.9 pt -48.23 -25.95 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -86.22 30.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' LYS . 9.0 m -137.44 127.36 25.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 35' ' ' SER . 1.7 ttpt -34.6 -51.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' LYS . 59.5 mt-30 -37.15 -50.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.518 ' CE1' HG21 ' A' ' 33' ' ' ILE . 23.2 t60 -67.91 -53.69 24.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 42' ' ' VAL . 3.6 mp -43.03 -55.99 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 t -42.21 -42.45 3.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -70.0 -34.71 73.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 39' ' ' ILE . 95.5 t -68.32 -30.97 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -80.92 -43.8 19.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 45' ' ' THR . 8.9 mm-40 -70.94 -52.95 16.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.454 HG22 ' N ' ' A' ' 46' ' ' VAL . 14.9 t -35.0 -37.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.454 ' N ' HG22 ' A' ' 45' ' ' THR . 6.1 p -117.5 114.11 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.45 152.53 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 49' ' ' GLN . 70.6 m -130.7 179.56 5.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 48' ' ' SER . 63.3 mt-30 -34.64 100.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -92.62 175.46 6.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -107.25 175.1 5.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -44.09 -38.86 3.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' ARG . 4.8 tt0 -37.07 145.77 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -138.72 142.39 38.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 p30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.912 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -95.46 93.36 7.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 110.828 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 m -95.12 135.97 36.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.97 146.27 6.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.4 m -138.45 176.59 8.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 t -174.56 139.72 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.69 -177.77 26.71 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.99 41.82 6.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.0 m -79.63 111.61 16.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.811 0.339 . . . . 0.0 111.169 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -82.28 171.33 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.05 -177.1 47.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.503 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.5 p -130.53 165.75 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.867 0.365 . . . . 0.0 111.13 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -128.25 152.93 78.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.552 0.692 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 92.63 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.266 . . . . 0.0 112.351 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -140.05 175.19 9.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.7 t -125.78 83.16 2.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 t -52.74 -18.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.147 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.4 tp -77.84 -46.42 21.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.5 m -100.42 1.99 41.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 60.83 22.97 60.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.476 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.8 t -106.97 124.23 62.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.93 0.395 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -95.8 107.08 19.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.45 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.4 m-85 -54.95 141.38 33.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 26' ' ' ARG . 36.9 t -76.57 152.71 35.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.814 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -35.33 -31.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' SER . 20.9 ttm180 -87.65 -62.31 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.5 tp -41.39 162.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.8 m -140.31 163.3 33.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.8 tp -49.69 -42.73 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' ASP . 33.7 mtt-85 -60.69 -71.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' ARG . 7.1 m-20 -36.38 -34.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.417 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 86.6 t60 -70.53 -69.45 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.478 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 30.5 pt -49.09 -19.56 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -90.28 28.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 36' ' ' LYS . 73.2 m -132.94 129.22 37.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.812 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 35' ' ' SER . 23.1 tptm -35.74 -48.79 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -39.53 -52.93 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.478 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 11.4 t60 -75.92 -41.35 52.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.8 mm -46.88 -58.77 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -48.07 -53.96 14.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -49.89 -35.96 25.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.0 t -68.94 -39.94 80.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -71.67 -44.46 64.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -53.53 -50.97 64.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 46' ' ' VAL . 7.3 t -62.28 -44.46 96.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.457 ' N ' HG23 ' A' ' 45' ' ' THR . 4.5 p -144.29 134.14 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.94 -130.04 3.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.6 t -68.93 167.77 15.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.352 . . . . 0.0 110.87 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -112.92 84.87 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.82 152.2 43.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -83.88 46.86 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -84.27 137.48 33.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -108.2 81.43 1.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -90.36 148.13 23.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.863 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 t -164.94 144.59 7.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.377 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -56.1 -55.71 29.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.08 -152.54 24.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.534 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -157.05 122.61 4.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.829 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -127.68 146.68 50.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.44 -88.25 1.74 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.37 78.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.5 m -102.0 102.72 13.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.745 0.307 . . . . 0.0 111.178 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -133.6 41.5 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.26 -94.86 1.54 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.0 p -146.82 123.0 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.351 . . . . 0.0 111.136 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -90.3 154.32 46.69 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.603 0.716 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 92.72 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.71 2.273 . . . . 0.0 112.369 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -139.96 172.45 12.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.7 t -122.03 76.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.7 t -45.01 -23.79 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.192 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.4 tp -75.79 -45.61 35.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.3 m -102.12 6.37 40.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 50.13 28.09 12.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.6 t -110.5 96.38 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 111.134 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.43 108.25 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 2.0 m-85 -57.36 144.57 35.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 26' ' ' ARG . 97.4 p -79.85 154.9 28.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -40.41 -24.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' SER . 28.7 ttt180 -91.5 -51.64 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -53.54 156.71 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 m -130.62 167.25 19.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.8 tp -60.76 -30.14 46.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.152 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.6 mtm-85 -73.85 -65.38 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -40.85 -34.99 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -73.35 -70.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.826 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.519 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 17.8 pt -50.08 -23.51 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -87.13 26.31 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.461 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 7.2 t -138.49 153.17 48.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' GLN . 1.6 tppp? -51.94 -46.65 64.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.408 ' CG ' ' N ' ' A' ' 38' ' ' HIS . 12.3 pt20 -37.19 -46.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.519 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 53.1 t60 -76.24 -57.26 3.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.461 ' CD1' ' O ' ' A' ' 35' ' ' SER . 3.1 mp -40.98 -57.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' ILE . 11.2 t -38.04 -57.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -56.57 -36.0 68.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' ILE . 66.5 t -68.32 -31.03 49.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 47' ' ' GLY . 73.9 mtm180 -78.57 -31.23 47.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -81.73 -45.32 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 46' ' ' VAL . 6.0 t -44.68 -31.9 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.43 ' N ' HG23 ' A' ' 45' ' ' THR . 5.5 p -119.42 -42.61 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 43.3 93.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.519 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.4 p -60.59 114.33 2.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -45.32 124.84 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.9 mt -89.62 165.42 14.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -75.54 147.15 39.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -45.12 131.43 7.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -123.37 -60.83 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -135.29 135.23 40.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 179.854 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.1 p -122.68 85.14 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 0.0 110.862 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 m -131.79 114.35 14.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.96 85.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 t -114.66 150.67 34.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.912 0.387 . . . . 0.0 110.832 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -63.81 168.49 4.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.37 47.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 168.8 43.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.4 t -109.29 -14.82 14.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.759 0.314 . . . . 0.0 111.124 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -109.02 137.31 47.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -124.46 -91.58 0.93 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.533 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.1 t -120.34 98.13 5.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 111.173 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.62 151.91 79.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.562 0.696 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 92.61 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.297 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -148.18 162.9 38.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -118.96 83.17 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -53.56 -15.76 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.9 tp -81.76 -47.06 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 m -102.42 5.36 39.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 54.85 26.38 40.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -106.59 107.41 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -84.51 112.15 20.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -64.92 159.38 22.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ALA . 2.0 p -93.73 153.06 18.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.13 -40.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.092 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -76.02 -57.2 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.409 ' CD1' ' HB2' ' A' ' 31' ' ' ASP . 28.3 tp -44.85 166.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.7 m -145.05 147.11 32.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 tp -39.4 -39.15 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' ASP . 53.7 mtm-85 -62.99 -67.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.409 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 14.5 m-20 -37.41 -39.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -66.87 -69.92 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.541 HG23 ' CE1' ' A' ' 38' ' ' HIS . 26.0 pt -50.37 -24.77 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -84.57 25.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 36' ' ' LYS . 56.4 m -136.73 128.33 28.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -34.43 -44.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -39.41 -53.37 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.541 ' CE1' HG23 ' A' ' 33' ' ' ILE . 22.6 t60 -67.08 -56.39 10.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' VAL . 4.2 mp -40.38 -59.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.5 t -38.58 -48.51 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -63.11 -39.56 95.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.45 HG22 ' CD2' ' A' ' 38' ' ' HIS . 51.3 t -64.77 -28.89 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 47' ' ' GLY . 34.7 mtt-85 -82.41 -53.49 5.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -52.96 -29.86 31.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 p -71.06 -64.87 0.82 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 47' ' ' GLY . 4.1 p -117.06 -32.51 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 34.43 -104.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.455 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.8 t -100.99 147.45 26.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.847 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -83.54 117.63 23.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 51' ' ' ASP . 1.5 tt -57.55 148.55 23.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.443 ' N ' HD23 ' A' ' 50' ' ' LEU . 34.9 m-20 -77.92 56.47 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 52' ' ' ARG . 4.2 ptp180 -97.98 161.05 13.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -113.75 -56.78 2.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -86.27 149.38 25.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.868 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p -68.98 -53.37 21.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.34 . . . . 0.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 t -112.65 107.43 16.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.57 -61.93 1.22 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -47.21 -60.97 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.903 0.383 . . . . 0.0 110.807 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m -70.68 123.57 22.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.72 145.53 15.02 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.47 138.46 7.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.4 m -125.18 90.91 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.31 . . . . 0.0 111.147 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -147.17 165.38 30.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 165.08 92.14 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.1 t -93.66 111.23 22.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 111.18 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.87 152.54 56.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.617 0.723 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 92.86 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.362 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -145.7 170.13 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -124.9 77.06 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -47.82 -20.69 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.7 tp -76.36 -47.89 21.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 m -102.71 6.54 39.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 53.37 24.37 22.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.3 t -104.31 97.64 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 111.172 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -74.78 111.39 9.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.427 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.2 m-85 -63.35 167.57 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 26' ' ' ARG . 2.7 m -101.55 159.24 15.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -38.39 -30.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' LEU . 55.7 ttt180 -85.27 -69.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' ARG . 31.6 tp -37.11 155.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.3 m -131.97 148.84 52.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.5 tp -41.78 -35.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.156 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.8 mtt-85 -68.12 -60.42 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -45.4 -34.32 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 35' ' ' SER . 82.9 t60 -71.34 -70.02 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.511 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 47.7 pt -44.91 -25.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -87.74 24.16 1.81 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' HIS . 2.5 t -127.92 148.01 50.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -51.9 -52.77 47.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' A' ' 38' ' ' HIS . 11.4 pt20 -36.95 -44.34 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.511 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 23.3 t60 -76.95 -47.25 21.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.5 mm -42.46 -61.84 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -42.48 -53.13 4.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -52.88 -44.0 66.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.458 HG22 ' CD2' ' A' ' 38' ' ' HIS . 60.4 t -62.39 -28.9 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -86.96 -31.64 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -74.11 -22.54 59.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 p -78.36 -51.79 9.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.32 -35.72 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.38 -159.91 0.43 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.6 m -145.61 -179.66 6.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 0.0 110.822 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -39.29 127.0 1.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.3 tp -133.44 137.02 45.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.99 108.47 20.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -91.02 96.11 10.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -99.96 -51.8 3.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -71.23 107.89 4.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 179.847 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.8 p -78.17 136.91 37.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.869 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m 64.59 41.57 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.26 -176.68 44.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p -144.44 173.67 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 110.828 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -153.52 131.23 11.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.96 130.4 6.09 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.07 76.37 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.445 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 57.8 p -82.83 102.77 11.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 111.164 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -116.69 -46.89 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -45.33 133.09 8.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.9 p -92.83 92.85 8.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.373 . . . . 0.0 111.145 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 24.3 ttmt -98.94 139.34 20.96 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.569 0.7 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 13' ' ' LYS . 53.7 Cg_endo -69.81 93.86 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -145.74 165.57 28.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.9 t -117.25 97.67 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 t -69.87 -7.7 42.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.0 tp -90.44 -42.56 10.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -104.41 7.38 35.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.26 18.6 29.04 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.449 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -102.36 111.92 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -91.27 107.03 18.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -53.73 153.79 4.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.7 t -88.62 166.87 13.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.67 -17.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -100.77 -62.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.45 ' CD1' ' HB2' ' A' ' 31' ' ' ASP . 46.7 tp -41.95 164.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.4 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 15.7 m -139.98 164.75 29.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 tp -54.02 -35.07 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 32' ' ' HIS . 6.5 mpt_? -67.44 -67.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.45 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 44.4 m-20 -38.79 -30.49 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 30' ' ' ARG . 82.8 t60 -77.46 -70.12 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.827 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.507 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 16.2 pt -50.81 -18.96 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -90.95 24.93 2.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 36' ' ' LYS . 43.2 m -138.77 130.2 27.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 35' ' ' SER . 16.5 tttp -33.54 -43.32 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -39.6 -56.43 1.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.507 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 26.6 t60 -67.62 -57.64 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 mp -37.75 -45.63 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 t -48.58 -58.1 5.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -55.44 -38.59 69.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.9 t -59.75 -33.47 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -80.88 -30.19 35.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -72.67 -55.34 6.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.467 HG21 ' N ' ' A' ' 46' ' ' VAL . 6.9 t -39.04 -44.47 1.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.467 ' N ' HG21 ' A' ' 45' ' ' THR . 4.8 p -123.61 116.45 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.43 163.39 9.42 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 49' ' ' GLN . 83.8 p -107.67 42.95 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' SER . 33.6 tp60 -35.1 126.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 tp -122.89 95.74 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.5 112.81 9.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 53' ' ' GLU . 4.7 ppt_? -94.88 -34.36 12.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.462 ' N ' ' HD2' ' A' ' 52' ' ' ARG . 15.4 mt-10 -59.57 156.52 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -112.99 146.03 39.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 t -130.79 147.84 52.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.0 p -117.37 175.36 5.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -80.76 -73.48 1.17 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 4' ' ' GLY . 92.9 p 35.39 41.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.351 . . . . 0.0 110.876 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 m -159.92 119.66 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.0 -157.86 1.03 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.445 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.91 115.22 4.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.4 p -41.14 135.45 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 111.088 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -125.88 173.62 8.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -121.38 -113.91 2.3 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.477 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.9 p -108.13 157.1 18.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 111.143 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.474 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 2.9 tppp? -115.37 136.49 22.73 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.701 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.474 ' HD2' ' CD ' ' A' ' 13' ' ' LYS . 53.6 Cg_endo -69.73 92.59 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -138.58 170.83 15.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -129.17 73.55 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -44.69 -23.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.3 tp -71.85 -48.07 48.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -102.41 5.18 39.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 58.81 15.73 28.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.33 121.82 47.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.917 0.389 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.99 101.74 13.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 1.2 m-85 -52.98 164.45 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 26' ' ' ARG . 20.4 t -102.99 158.19 16.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -37.37 -28.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.072 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 24' ' ' SER . 22.5 tpt180 -87.62 -68.45 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 26' ' ' ARG . 30.1 tp -38.98 159.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -136.17 149.83 48.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.7 tp -41.41 -43.06 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.142 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' HIS . 63.1 mtt180 -63.16 -68.92 0.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -38.68 -28.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.46 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 73.9 t60 -77.12 -70.04 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.511 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 21.9 pt -45.72 -23.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -87.06 28.25 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 36' ' ' LYS . 69.5 m -131.95 129.28 40.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 35' ' ' SER . 19.8 tttt -35.49 -45.49 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -41.91 -52.52 4.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.511 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 17.6 t60 -74.17 -44.66 52.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.4 mm -43.48 -58.66 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -48.22 -50.85 27.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -55.45 -33.68 63.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.461 HG23 ' CD2' ' A' ' 38' ' ' HIS . 62.2 t -70.43 -36.22 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -79.47 -30.48 42.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -80.85 -51.31 8.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.6 t -41.07 -32.05 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.1 p -124.65 117.16 49.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.47 153.67 0.66 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' GLN . 30.3 t -104.04 41.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.808 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -34.66 -41.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.2 tp -85.54 101.24 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -107.84 172.09 7.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -73.73 173.26 10.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 54' ' ' LYS . 33.5 mt-10 -123.92 -52.4 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 53' ' ' GLU . 1.0 OUTLIER -35.51 -57.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -83.96 -60.22 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m 54.29 42.13 31.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.25 150.61 21.2 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -167.91 148.66 5.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 110.868 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.1 m -110.11 177.03 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.41 152.73 22.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.506 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.99 80.49 0.25 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.483 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 m -63.95 -59.27 4.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 111.106 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -90.39 90.47 8.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.61 106.89 0.42 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 p -94.31 109.51 21.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 111.165 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -98.79 146.93 32.49 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 96.08 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.362 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -147.25 166.16 27.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.4 t -123.86 78.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.7 t -51.78 -16.77 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 tp -78.69 -48.02 15.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.4 m -101.47 5.0 41.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 60.79 18.69 53.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.7 t -99.8 113.8 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.22 102.16 14.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.402 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 0.4 OUTLIER -54.84 164.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.0 t -99.58 174.56 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.19 -17.38 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.069 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -98.58 -60.96 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.413 ' CD1' ' HB2' ' A' ' 31' ' ' ASP . 35.3 tp -45.34 154.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' ILE . 19.8 m -132.31 148.25 52.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 28' ' ' SER . 5.4 tp -36.87 -45.65 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -57.13 -68.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' ARG . 77.8 m-20 -35.98 -40.81 0.21 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.402 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 86.4 t60 -67.32 -70.66 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.525 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 18.4 pt -49.61 -23.19 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -88.15 29.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 36' ' ' LYS . 51.7 m -136.18 127.55 28.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -34.14 -51.03 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 48.6 mm-40 -37.11 -54.02 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 8.9 t60 -72.98 -36.1 67.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.1 mm -51.07 -54.36 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 t -48.79 -43.05 37.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -63.64 -37.14 86.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.519 HG23 ' CD2' ' A' ' 38' ' ' HIS . 61.1 t -70.67 -27.14 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -84.95 -33.76 22.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -81.06 -50.17 9.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.9 t -39.95 -32.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.5 p -116.46 -44.95 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -39.35 130.27 2.21 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.9 p -71.19 116.56 11.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -98.01 171.62 8.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mp -118.85 84.91 2.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.58 109.25 19.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.1 ptt85 -118.6 147.71 43.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -130.11 169.24 15.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.76 157.04 44.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.2 t0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.883 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.23 0.111 0 CA-C-O 120.746 0.227 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -144.65 169.17 18.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -122.21 73.04 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 t -41.04 -27.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 tp -70.01 -48.26 58.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.622 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.2 m -103.5 7.6 37.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 49.09 29.04 8.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.448 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 19' ' ' CYS . 82.4 t -105.86 84.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 111.167 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 109.03 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 2.0 m-85 -59.74 145.99 43.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 26' ' ' ARG . 58.3 m -81.59 149.33 28.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.96 -32.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.065 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.6 tpm_? -84.09 -59.83 2.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 28' ' ' SER . 44.1 tp -44.77 167.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.439 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 15.9 m -142.34 158.06 44.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.6 tp -50.33 -40.6 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.609 ' HD3' HD11 ' A' ' 33' ' ' ILE . 14.9 mmt85 -62.91 -59.99 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -45.87 -35.36 4.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.4 ' CD2' ' HE1' ' A' ' 23' ' ' TYR . 84.2 t60 -71.91 -69.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.609 HD11 ' HD3' ' A' ' 30' ' ' ARG . 44.9 pt -47.79 -22.58 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -93.25 33.83 1.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.478 ' O ' HD12 ' A' ' 39' ' ' ILE . 2.8 m -144.45 131.15 20.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -34.38 -44.5 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -40.22 -50.61 2.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.514 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 20.7 t60 -75.29 -59.46 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.653 ' H ' HD12 ' A' ' 39' ' ' ILE . 4.7 mp -38.73 -56.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 t -40.73 -55.94 2.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -56.06 -36.56 68.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.868 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.74 0.225 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -144.14 170.4 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -122.9 79.62 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 t -48.39 -22.11 0.65 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 tp -75.45 -45.8 36.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.506 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.3 m -103.02 5.84 38.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 55.92 19.84 23.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.517 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 19' ' ' CYS . 41.4 t -101.15 119.35 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 111.164 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -91.78 108.36 19.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.526 ' OH ' HD12 ' A' ' 29' ' ' ILE . 1.7 m-85 -58.38 154.5 13.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 26' ' ' ARG . 80.2 p -88.64 151.85 22.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.75 -32.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' SER . 44.1 ttp180 -84.94 -57.87 2.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.1 tp -46.99 159.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.8 m -135.79 154.04 51.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.526 HD12 ' OH ' ' A' ' 23' ' ' TYR . 6.1 tp -44.6 -44.94 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.493 ' N ' HG23 ' A' ' 29' ' ' ILE . 35.5 mtm180 -62.7 -66.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -39.95 -26.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' ARG . 78.6 t60 -79.37 -64.1 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.509 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 13.9 pt -54.7 -17.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -90.95 25.88 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.4 m -131.32 133.91 45.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.82 -45.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -41.91 -57.44 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.509 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 14.1 t60 -69.38 -41.31 76.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.9 mm -46.33 -54.53 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.3 t -45.43 -57.69 3.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -50.5 -42.58 54.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.475 ' CG2' ' NE2' ' A' ' 38' ' ' HIS . 61.6 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.073 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.721 0.217 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -136.06 175.59 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -126.55 85.82 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 t -53.8 -19.35 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 tp -79.36 -44.59 21.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.595 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.4 m -103.62 7.38 37.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 52.55 22.83 12.02 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 19' ' ' CYS . 60.3 t -104.25 113.06 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.923 0.392 . . . . 0.0 111.124 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -88.68 103.63 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.578 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 1.4 m-85 -54.29 151.74 7.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 25' ' ' ALA . 16.4 p -87.46 158.37 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.03 -47.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 27' ' ' LEU . 20.9 tpp180 -72.44 -68.47 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 23' ' ' TYR . 32.5 tp -34.31 146.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 29' ' ' ILE . 15.3 m -125.44 146.07 49.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.419 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 4.8 tp -37.57 -38.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -66.16 -61.61 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -44.63 -26.22 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.578 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 29.2 t-80 -80.99 -70.07 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.524 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 17.7 pt -44.07 -22.7 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -91.95 33.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' LYS . 69.8 m -134.4 130.35 36.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' SER . 1.2 tmtp? -34.64 -51.26 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -38.87 -54.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.68 ' O ' HG23 ' A' ' 42' ' ' VAL . 17.4 t60 -74.96 -38.4 61.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.7 mm -50.11 -57.35 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -50.92 -54.13 26.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -50.72 -42.14 56.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 38' ' ' HIS . 59.2 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.7 0.208 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -147.7 175.07 11.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -125.9 85.88 2.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -53.51 -16.82 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.1 tp -82.94 -44.3 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.626 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.3 m -105.03 9.63 34.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 48.5 30.8 8.67 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 19' ' ' CYS . 93.8 t -109.39 100.86 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -78.4 103.95 8.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.485 ' OH ' HD12 ' A' ' 29' ' ' ILE . 1.4 m-85 -52.88 152.76 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 26' ' ' ARG . 51.7 p -83.26 150.4 26.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -35.29 -31.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' SER . 55.6 ttm-85 -87.2 -55.44 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 31' ' ' ASP . 31.9 tp -43.97 167.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.7 m -143.59 151.61 40.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 30' ' ' ARG . 4.4 tp -40.36 -46.65 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.497 ' N ' HG23 ' A' ' 29' ' ' ILE . 50.8 mtt180 -58.74 -69.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.46 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 75.0 m-20 -34.56 -36.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' ARG . 75.9 t60 -69.45 -69.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.504 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 16.2 pt -52.15 -18.0 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -88.38 25.53 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' LYS . 2.2 m -139.41 131.05 27.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -35.91 -41.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.889 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -40.86 -53.52 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.504 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 28.0 t60 -68.61 -57.36 5.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.519 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.2 mp -37.66 -56.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.0 t -40.81 -59.08 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -52.29 -41.47 62.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.855 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.16 0 CA-C-O 120.704 0.21 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -133.45 179.56 6.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.499 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 2.0 t -126.49 84.82 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.0 t -53.08 -16.03 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 tp -80.99 -47.87 13.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.446 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.0 m -101.79 4.38 40.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 56.62 26.37 52.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 19' ' ' CYS . 60.0 t -107.75 115.01 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 111.134 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -86.34 105.25 16.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.538 ' HA ' HD23 ' A' ' 27' ' ' LEU . 1.5 m-85 -54.34 138.0 40.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ALA . 64.9 p -74.92 153.04 38.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.56 -38.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -79.39 -62.65 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 23' ' ' TYR . 39.4 tp -39.9 160.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.7 m -137.76 165.37 26.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 30' ' ' ARG . 3.6 tp -54.31 -43.67 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.433 ' N ' HG23 ' A' ' 29' ' ' ILE . 58.1 mtt180 -62.87 -62.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -42.65 -35.58 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.435 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 83.0 t60 -70.91 -69.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.499 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 27.4 pt -47.3 -22.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -90.7 32.22 0.99 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' LYS . 32.0 m -136.55 128.11 28.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -35.93 -51.51 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -38.56 -47.61 1.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.538 ' O ' HG23 ' A' ' 42' ' ' VAL . 12.9 t60 -80.59 -37.02 32.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.2 mm -52.86 -57.59 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 t -40.63 -53.36 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -58.68 -36.69 74.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 38' ' ' HIS . 57.9 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.084 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.466 -0.144 0 CA-C-O 120.766 0.236 . . . . 0.0 112.388 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -141.38 161.58 37.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -121.86 83.62 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 t -53.4 -16.07 1.27 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.7 tp -81.49 -46.32 14.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.546 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.8 m -102.77 6.21 39.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 53.32 26.3 29.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.531 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 19' ' ' CYS . 45.2 t -106.64 110.95 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.381 . . . . 0.0 111.102 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -90.49 103.43 16.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.648 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -57.05 139.07 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 26' ' ' ARG . 20.4 t -79.6 153.29 29.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.41 -32.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 24' ' ' SER . 46.9 ttp180 -77.72 -54.7 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.28 161.59 6.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.4 m -132.43 170.3 15.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.55 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 3.1 tp -59.96 -33.8 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' HIS . 54.1 mtm180 -70.97 -65.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -38.81 -26.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.648 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 46.0 t-80 -81.11 -69.92 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.519 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 6.6 pt -50.41 -21.8 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -90.39 19.37 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.47 147.59 51.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -48.63 -44.13 37.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -39.78 -45.14 1.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.611 ' O ' HG23 ' A' ' 42' ' ' VAL . 14.8 t-80 -83.17 -37.72 23.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.7 mm -53.03 -58.66 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.3 t -41.65 -57.29 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -52.44 -39.47 61.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 38' ' ' HIS . 59.2 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.088 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.16 0 CA-C-O 120.758 0.232 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -141.64 172.43 12.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.0 t -121.28 91.5 3.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -61.18 -9.97 5.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.2 tp -87.87 -44.74 10.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.81 3.65 36.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 59.17 23.64 57.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.477 HG21 ' OE1' ' A' ' 37' ' ' GLN . 46.6 t -105.7 115.77 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.371 . . . . 0.0 111.123 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.2 tttt -91.72 104.57 17.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.518 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 0.7 OUTLIER -55.45 146.55 19.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' ARG . 3.4 m -88.41 153.79 20.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.07 -34.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 24' ' ' SER . 62.0 ttt180 -79.87 -55.36 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 23' ' ' TYR . 37.7 tp -56.01 166.45 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.414 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 14.5 m -146.21 156.98 43.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.512 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 5.1 tp -42.69 -46.8 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.176 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.48 ' N ' HG23 ' A' ' 29' ' ' ILE . 63.5 mtm-85 -57.83 -73.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' ARG . 1.6 m-20 -34.95 -34.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.518 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 28.1 t-80 -71.5 -69.96 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.578 HG22 ' CE1' ' A' ' 38' ' ' HIS . 31.6 pt -48.81 -21.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -88.57 28.26 1.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.3 m -132.79 132.97 42.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -40.06 -50.74 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.502 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -37.99 -50.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.928 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.578 ' CE1' HG22 ' A' ' 33' ' ' ILE . 10.6 t60 -75.38 -45.63 37.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.7 mm -42.59 -59.18 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -47.84 -51.03 24.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -52.0 -35.96 48.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.6 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.845 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 120.688 0.203 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -141.44 160.73 39.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.8 t -106.14 93.76 4.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 t -62.51 -12.0 19.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 tp -88.75 -39.76 13.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.665 ' O ' HG23 ' A' ' 21' ' ' VAL . 9.2 m -109.89 10.77 24.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 48.22 29.69 7.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 19' ' ' CYS . 97.4 t -108.53 104.97 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.389 . . . . 0.0 111.168 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -78.93 102.48 8.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.543 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.4 m-85 -54.48 130.82 41.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' ARG . 26.3 m -64.43 156.26 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.27 -24.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.3 tmt_? -93.13 -57.24 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 23' ' ' TYR . 24.7 tp -44.89 157.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.4 m -134.65 153.56 51.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.5 tp -44.98 -39.49 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 31' ' ' ASP . 47.5 mtt85 -62.65 -72.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 30' ' ' ARG . 39.3 m-20 -36.11 -37.26 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -68.57 -69.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.525 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 34.6 pt -48.91 -19.99 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -93.86 30.34 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 36' ' ' LYS . 62.5 m -135.23 127.63 30.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.815 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' SER . 2.2 ttpp -34.38 -52.79 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 20.8 mm-40 -37.2 -52.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 9.2 t60 -75.75 -36.43 59.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.6 mm -50.93 -52.44 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t -46.34 -58.06 4.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.2 tptt -50.23 -44.57 53.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 38' ' ' HIS . 61.8 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.754 0.231 . . . . 0.0 112.389 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -143.72 169.47 17.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.493 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.8 t -121.67 76.41 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -45.96 -21.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.95 -48.05 22.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.548 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.5 m -102.45 5.81 39.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 52.43 26.83 23.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 19' ' ' CYS . 58.9 t -105.92 86.59 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.361 . . . . 0.0 111.151 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -63.76 105.72 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.493 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.8 m-85 -55.79 165.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 26' ' ' ARG . 3.9 p -102.0 156.56 17.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -38.12 -31.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 26' ' ' ARG . 11.6 ttm105 -83.89 -63.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.411 HD23 ' HB3' ' A' ' 23' ' ' TYR . 25.5 tp -40.77 162.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -138.12 144.01 40.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.425 HD12 ' OH ' ' A' ' 23' ' ' TYR . 4.0 tp -39.22 -40.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.104 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 31' ' ' ASP . 63.6 mtt85 -64.35 -70.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' ARG . 16.7 m-20 -34.67 -37.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -66.79 -70.03 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.525 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 40.6 pt -50.52 -22.55 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -88.34 27.55 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 36' ' ' LYS . 20.1 m -139.14 129.77 25.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.7 OUTLIER -34.42 -37.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -44.8 -51.27 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 33.4 t60 -71.41 -53.69 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.621 ' H ' HD12 ' A' ' 39' ' ' ILE . 4.4 mp -43.08 -48.98 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.5 t -46.17 -49.67 16.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -63.7 -35.82 81.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.877 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.745 0.227 . . . . 0.0 112.394 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -145.02 164.05 32.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -122.87 71.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -39.77 -27.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 16' ' ' CYS . 9.8 tp -70.26 -46.67 63.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.513 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.3 m -101.91 4.67 40.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 55.14 21.82 26.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 19' ' ' CYS . 41.4 t -102.42 119.06 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 102.3 14.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.483 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 1.1 m-85 -52.68 160.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 26' ' ' ARG . 30.0 p -90.05 154.59 19.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -38.57 -26.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 24' ' ' SER . 4.0 tpm_? -91.06 -61.63 1.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.2 tp -40.11 155.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 m -128.13 156.39 42.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 tp -48.49 -38.27 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -66.25 -64.53 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -39.51 -32.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.483 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 78.3 t60 -73.57 -70.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.606 HG22 ' CE1' ' A' ' 38' ' ' HIS . 16.3 pt -48.42 -19.88 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -92.74 31.27 1.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.509 ' O ' HD12 ' A' ' 39' ' ' ILE . 16.7 m -138.52 130.44 28.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' SER . 2.1 ttpp -35.63 -51.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' LYS . 11.6 mm100 -37.14 -46.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.606 ' CE1' HG22 ' A' ' 33' ' ' ILE . 21.9 t60 -76.69 -60.54 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.733 ' H ' HD12 ' A' ' 39' ' ' ILE . 4.5 mp -38.29 -48.14 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.8 t -48.5 -50.29 32.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -60.62 -40.19 90.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.878 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.674 0.198 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -142.55 174.51 10.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.8 t -126.25 86.95 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 t -57.88 -13.0 3.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.6 tp -83.78 -47.53 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 m -102.12 4.58 39.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 57.68 24.56 53.51 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.8 t -104.35 108.53 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -83.67 105.06 14.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.556 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -56.1 145.06 26.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 26' ' ' ARG . 1.4 t -80.91 154.91 26.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -35.99 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 24' ' ' SER . 75.5 ttt180 -89.78 -64.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD23 ' HA ' ' A' ' 23' ' ' TYR . 44.8 tp -35.89 149.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -127.59 144.62 51.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.475 HG23 ' N ' ' A' ' 30' ' ' ARG . 4.9 tp -39.05 -46.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.19 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.475 ' N ' HG23 ' A' ' 29' ' ' ILE . 16.2 mtp180 -54.32 -65.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -43.86 -35.18 1.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -72.74 -69.84 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.536 HG22 ' CE1' ' A' ' 38' ' ' HIS . 28.1 pt -46.73 -25.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -86.94 29.66 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.483 ' O ' HD12 ' A' ' 39' ' ' ILE . 73.7 m -133.29 129.55 37.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.4 OUTLIER -34.78 -51.85 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 38' ' ' HIS . 19.0 pt20 -37.37 -47.55 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.536 ' CE1' HG22 ' A' ' 33' ' ' ILE . 22.5 t60 -74.24 -59.02 2.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.63 ' H ' HD12 ' A' ' 39' ' ' ILE . 4.2 mp -39.43 -55.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.1 t -40.99 -54.13 2.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -56.44 -43.63 79.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.137 179.841 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.128 0 CA-C-O 120.747 0.228 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -152.92 169.69 22.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.458 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.8 t -126.21 87.66 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 t -58.65 -13.51 6.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 tp -83.95 -46.63 11.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.464 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.8 m -101.29 3.66 40.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 56.69 26.15 52.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.474 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 19' ' ' CYS . 43.4 t -107.8 101.14 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 111.139 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -77.77 102.09 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.458 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.3 m-85 -52.32 158.39 1.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' ALA . 48.4 t -94.91 150.58 20.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.1 -37.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.066 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' SER . 61.0 ttt180 -75.88 -56.24 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 28' ' ' SER . 46.6 tp -52.9 165.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.433 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 58.6 m -140.88 152.7 45.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.791 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 30' ' ' ARG . 4.0 tp -45.47 -44.24 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.467 ' N ' HG23 ' A' ' 29' ' ' ILE . 5.6 mmt85 -59.49 -62.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.35 -37.63 1.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.425 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 85.4 t60 -67.87 -69.84 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.518 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 38.9 pt -47.04 -22.69 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -93.18 33.04 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 36' ' ' LYS . 55.8 m -137.26 127.19 25.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -34.4 -49.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -40.1 -56.37 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.518 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 10.1 t60 -69.65 -43.31 72.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.6 mm -44.84 -55.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.1 t -47.22 -56.11 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -49.61 -36.87 25.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.2 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.841 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.75 0.229 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -142.42 178.29 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -130.33 83.72 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -52.06 -16.26 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.7 tp -82.66 -46.11 13.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.522 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.2 m -101.5 4.22 40.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 54.75 26.65 40.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 19' ' ' CYS . 59.7 t -108.09 106.71 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -83.53 108.39 16.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.533 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 1.0 OUTLIER -60.05 156.91 13.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 25' ' ' ALA . 11.0 t -95.0 155.6 16.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.04 -38.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 24' ' ' SER . 29.1 ttt180 -78.2 -63.83 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 23' ' ' TYR . 28.9 tp -41.16 159.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.8 m -139.55 155.06 47.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.83 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.428 HG23 ' N ' ' A' ' 30' ' ' ARG . 3.4 tp -43.59 -43.18 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.428 ' N ' HG23 ' A' ' 29' ' ' ILE . 7.4 mmt180 -60.9 -65.08 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.5 -41.17 1.38 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.533 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 28.4 t-80 -65.05 -70.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.529 HG22 ' CE1' ' A' ' 38' ' ' HIS . 40.9 pt -48.23 -25.95 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -86.22 30.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' LYS . 9.0 m -137.44 127.36 25.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HA ' HD13 ' A' ' 39' ' ' ILE . 1.7 ttpt -34.6 -51.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' LYS . 59.5 mt-30 -37.15 -50.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.529 ' CE1' HG22 ' A' ' 33' ' ' ILE . 23.2 t60 -67.91 -53.69 24.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.523 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.6 mp -43.03 -55.99 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 t -42.21 -42.45 3.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -70.0 -34.71 73.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 39' ' ' ILE . 95.5 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.694 0.206 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -140.05 175.19 9.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.456 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 2.7 t -125.78 83.16 2.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 t -52.74 -18.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.147 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.4 tp -77.84 -46.42 21.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.5 m -100.42 1.99 41.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 60.83 22.97 60.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.476 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.8 t -106.97 124.23 62.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.93 0.395 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -95.8 107.08 19.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.4 m-85 -54.95 141.38 33.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 26' ' ' ARG . 36.9 t -76.57 152.71 35.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.814 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -35.33 -31.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' SER . 20.9 ttm180 -87.65 -62.31 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 23' ' ' TYR . 45.5 tp -41.39 162.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.8 m -140.31 163.3 33.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 30' ' ' ARG . 5.8 tp -49.69 -42.73 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.436 ' N ' HG23 ' A' ' 29' ' ' ILE . 33.7 mtt-85 -60.69 -71.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' ARG . 7.1 m-20 -36.38 -34.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.417 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 86.6 t60 -70.53 -69.45 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.486 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 30.5 pt -49.09 -19.56 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -90.28 28.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 36' ' ' LYS . 73.2 m -132.94 129.22 37.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.812 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 35' ' ' SER . 23.1 tptm -35.74 -48.79 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -39.53 -52.93 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.486 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 11.4 t60 -75.92 -41.35 52.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.8 mm -46.88 -58.77 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -48.07 -53.96 14.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -49.89 -35.96 25.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 38' ' ' HIS . 65.0 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.146 0 CA-C-O 120.757 0.232 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -139.96 172.45 12.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.7 t -122.03 76.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.7 t -45.01 -23.79 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.192 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.4 tp -75.79 -45.61 35.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.683 ' O ' HG23 ' A' ' 21' ' ' VAL . 8.3 m -102.12 6.37 40.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 50.13 28.09 12.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 19' ' ' CYS . 52.6 t -110.5 96.38 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.43 108.25 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.463 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 2.0 m-85 -57.36 144.57 35.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 26' ' ' ARG . 97.4 p -79.85 154.9 28.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -40.41 -24.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' SER . 28.7 ttt180 -91.5 -51.64 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -53.54 156.71 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 m -130.62 167.25 19.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.8 tp -60.76 -30.14 46.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.152 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.6 mtm-85 -73.85 -65.38 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -40.85 -34.99 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -73.35 -70.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.826 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.525 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 17.8 pt -50.08 -23.51 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -87.13 26.31 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.656 ' O ' HD12 ' A' ' 39' ' ' ILE . 7.2 t -138.49 153.17 48.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' GLN . 1.6 tppp? -51.94 -46.65 64.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.408 ' CG ' ' N ' ' A' ' 38' ' ' HIS . 12.3 pt20 -37.19 -46.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 53.1 t60 -76.24 -57.26 3.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 35' ' ' SER . 3.1 mp -40.98 -57.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' ILE . 11.2 t -38.04 -57.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -56.57 -36.0 68.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' ILE . 66.5 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.721 0.217 . . . . 0.0 112.297 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -148.18 162.9 38.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -118.96 83.17 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -53.56 -15.76 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.9 tp -81.76 -47.06 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.498 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.7 m -102.42 5.36 39.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 54.85 26.38 40.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 19' ' ' CYS . 54.4 t -106.59 107.41 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -84.51 112.15 20.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.559 ' HB3' HD23 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -64.92 159.38 22.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ALA . 2.0 p -93.73 153.06 18.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.13 -40.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.092 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -76.02 -57.2 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.559 HD23 ' HB3' ' A' ' 23' ' ' TYR . 28.3 tp -44.85 166.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.7 m -145.05 147.11 32.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 tp -39.4 -39.15 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' ASP . 53.7 mtm-85 -62.99 -67.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.431 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 14.5 m-20 -37.41 -39.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -66.87 -69.92 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.553 HG22 ' CE1' ' A' ' 38' ' ' HIS . 26.0 pt -50.37 -24.77 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -84.57 25.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 36' ' ' LYS . 56.4 m -136.73 128.33 28.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HA ' HD13 ' A' ' 39' ' ' ILE . 0.9 OUTLIER -34.43 -44.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -39.41 -53.37 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.553 ' CE1' HG22 ' A' ' 33' ' ' ILE . 22.6 t60 -67.08 -56.39 10.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.62 ' H ' HD12 ' A' ' 39' ' ' ILE . 4.2 mp -40.38 -59.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.5 t -38.58 -48.51 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -63.11 -39.56 95.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 39' ' ' ILE . 51.3 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.733 0.222 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -145.7 170.13 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -124.9 77.06 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -47.82 -20.69 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.7 tp -76.36 -47.89 21.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.524 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.6 m -102.71 6.54 39.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 53.37 24.37 22.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 19' ' ' CYS . 70.3 t -104.31 97.64 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 111.172 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -74.78 111.39 9.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.51 ' OH ' HD12 ' A' ' 29' ' ' ILE . 1.2 m-85 -63.35 167.57 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 26' ' ' ARG . 2.7 m -101.55 159.24 15.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -38.39 -30.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' LEU . 55.7 ttt180 -85.27 -69.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' ARG . 31.6 tp -37.11 155.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.3 m -131.97 148.84 52.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.51 HD12 ' OH ' ' A' ' 23' ' ' TYR . 3.5 tp -41.78 -35.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.156 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.8 mtt-85 -68.12 -60.42 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -45.4 -34.32 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 35' ' ' SER . 82.9 t60 -71.34 -70.02 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.54 HG22 ' CE1' ' A' ' 38' ' ' HIS . 47.7 pt -44.91 -25.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -87.74 24.16 1.81 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' HIS . 2.5 t -127.92 148.01 50.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -51.9 -52.77 47.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.447 ' HG3' ' N ' ' A' ' 38' ' ' HIS . 11.4 pt20 -36.95 -44.34 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.54 ' CE1' HG22 ' A' ' 33' ' ' ILE . 23.3 t60 -76.95 -47.25 21.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.5 mm -42.46 -61.84 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -42.48 -53.13 4.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -52.88 -44.0 66.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.403 ' CG2' ' NE2' ' A' ' 38' ' ' HIS . 60.4 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.12 0 CA-C-O 120.734 0.222 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -145.74 165.57 28.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.9 t -117.25 97.67 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 t -69.87 -7.7 42.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.0 tp -90.44 -42.56 10.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.499 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.0 m -104.41 7.38 35.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.26 18.6 29.04 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.449 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 19' ' ' CYS . 61.7 t -102.36 111.92 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -91.27 107.03 18.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.496 ' OH ' HD12 ' A' ' 29' ' ' ILE . 1.7 m-85 -53.73 153.79 4.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.7 t -88.62 166.87 13.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.67 -17.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -100.77 -62.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 31' ' ' ASP . 46.7 tp -41.95 164.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.412 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 15.7 m -139.98 164.75 29.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.671 HG23 ' HD2' ' A' ' 30' ' ' ARG . 4.5 tp -54.02 -35.07 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.671 ' HD2' HG23 ' A' ' 29' ' ' ILE . 6.5 mpt_? -67.44 -67.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.473 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 44.4 m-20 -38.79 -30.49 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 30' ' ' ARG . 82.8 t60 -77.46 -70.12 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.827 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.525 HG23 ' O ' ' A' ' 29' ' ' ILE . 16.2 pt -50.81 -18.96 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -90.95 24.93 2.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 36' ' ' LYS . 43.2 m -138.77 130.2 27.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 35' ' ' SER . 16.5 tttp -33.54 -43.32 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -39.6 -56.43 1.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.515 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 26.6 t60 -67.62 -57.64 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.607 ' H ' HD12 ' A' ' 39' ' ' ILE . 4.1 mp -37.75 -45.63 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 t -48.58 -58.1 5.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -55.44 -38.59 69.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.9 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.904 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.23 0.101 0 CA-C-O 120.728 0.22 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -138.58 170.83 15.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -129.17 73.55 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -44.69 -23.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.3 tp -71.85 -48.07 48.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.401 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.5 m -102.41 5.18 39.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 58.81 15.73 28.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 19' ' ' CYS . 60.5 t -96.33 121.82 47.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.917 0.389 . . . . 0.0 111.156 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.99 101.74 13.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.46 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 1.2 m-85 -52.98 164.45 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 26' ' ' ARG . 20.4 t -102.99 158.19 16.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -37.37 -28.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.072 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 24' ' ' SER . 22.5 tpt180 -87.62 -68.45 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 26' ' ' ARG . 30.1 tp -38.98 159.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -136.17 149.83 48.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 30' ' ' ARG . 3.7 tp -41.41 -43.06 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.142 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' HIS . 63.1 mtt180 -63.16 -68.92 0.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -38.68 -28.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.46 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 26.1 t-80 -77.12 -70.04 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.602 HG22 ' CE1' ' A' ' 38' ' ' HIS . 21.9 pt -45.72 -23.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -87.06 28.25 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 36' ' ' LYS . 69.5 m -131.95 129.28 40.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 35' ' ' SER . 19.8 tttt -35.49 -45.49 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -41.91 -52.52 4.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.602 ' CE1' HG22 ' A' ' 33' ' ' ILE . 17.6 t60 -74.17 -44.66 52.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.4 mm -43.48 -58.66 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -48.22 -50.85 27.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -55.45 -33.68 63.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.456 ' CG2' ' CD2' ' A' ' 38' ' ' HIS . 62.2 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 N--CA 1.466 -0.113 0 CA-C-O 120.711 0.213 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -147.25 166.16 27.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.4 t -123.86 78.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.7 t -51.78 -16.77 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 tp -78.69 -48.02 15.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.4 m -101.47 5.0 41.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 60.79 18.69 53.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.7 t -99.8 113.8 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.22 102.16 14.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.402 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 0.4 OUTLIER -54.84 164.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.0 t -99.58 174.56 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.19 -17.38 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.069 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -98.58 -60.96 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.435 ' CD1' ' HB2' ' A' ' 31' ' ' ASP . 35.3 tp -45.34 154.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' ILE . 19.8 m -132.31 148.25 52.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 30' ' ' ARG . 5.4 tp -36.87 -45.65 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.477 ' N ' HG23 ' A' ' 29' ' ' ILE . 0.7 OUTLIER -57.13 -68.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.435 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 77.8 m-20 -35.98 -40.81 0.21 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.402 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 86.4 t60 -67.32 -70.66 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.535 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 18.4 pt -49.61 -23.19 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -88.15 29.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 36' ' ' LYS . 51.7 m -136.18 127.55 28.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -34.14 -51.03 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 48.6 mm-40 -37.11 -54.02 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.535 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 8.9 t60 -72.98 -36.1 67.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.1 mm -51.07 -54.36 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 t -48.79 -43.05 37.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -63.64 -37.14 86.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.47 ' CG2' ' NE2' ' A' ' 38' ' ' HIS . 61.1 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -133.91 144.63 48.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.85 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -89.67 -49.28 6.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.84 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.83 147.12 7.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.0 p -116.57 171.65 7.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -112.89 135.23 53.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.76 50.32 0.85 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 164.89 117.65 0.41 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.446 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.0 p -99.07 148.69 23.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 111.143 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -145.4 130.34 18.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.56 70.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 p -92.16 37.51 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.371 . . . . 0.0 111.189 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -41.77 144.73 0.77 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.528 0.68 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 92.59 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.636 2.224 . . . . 0.0 112.325 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -144.65 169.17 18.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -122.21 73.04 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 t -41.04 -27.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 tp -70.01 -48.26 58.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.622 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.2 m -103.5 7.6 37.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 49.09 29.04 8.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.448 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 19' ' ' CYS . 82.4 t -105.86 84.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 111.167 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 109.03 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 2.0 m-85 -59.74 145.99 43.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 26' ' ' ARG . 58.3 m -81.59 149.33 28.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.96 -32.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.065 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.6 tpm_? -84.09 -59.83 2.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 28' ' ' SER . 44.1 tp -44.77 167.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.439 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 15.9 m -142.34 158.06 44.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.6 tp -50.33 -40.6 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.609 ' HD3' HD11 ' A' ' 33' ' ' ILE . 14.9 mmt85 -62.91 -59.99 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -45.87 -35.36 4.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.4 ' CD2' ' HE1' ' A' ' 23' ' ' TYR . 84.2 t60 -71.91 -69.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.609 HD11 ' HD3' ' A' ' 30' ' ' ARG . 44.9 pt -47.79 -22.58 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -93.25 33.83 1.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.478 ' O ' HD12 ' A' ' 39' ' ' ILE . 2.8 m -144.45 131.15 20.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -34.38 -44.5 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -40.22 -50.61 2.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.514 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 20.7 t60 -75.29 -59.46 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.653 ' H ' HD12 ' A' ' 39' ' ' ILE . 4.7 mp -38.73 -56.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 t -40.73 -55.94 2.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -56.06 -36.56 68.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.7 t -72.13 -25.15 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -84.12 -32.24 24.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 45' ' ' THR . 17.7 mm-40 -86.65 -53.18 5.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 44' ' ' GLU . 14.6 t -34.09 -38.31 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.192 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 47' ' ' GLY . 4.0 p -112.7 -48.81 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.494 ' N ' HG13 ' A' ' 46' ' ' VAL . . . 120.21 153.9 9.28 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -100.73 -42.75 6.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -45.55 134.85 6.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.6 pp -72.55 167.15 21.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 p-10 -85.56 153.42 22.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -44.27 -67.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -101.58 131.12 47.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -89.29 150.16 22.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.6 t0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.91 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 p -167.68 145.8 4.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.829 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.7 t -120.57 -55.37 2.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.27 80.62 1.06 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 m -56.25 -51.12 69.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.84 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.7 m 46.0 39.25 5.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.33 117.73 3.43 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.39 171.83 20.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 9' ' ' THR . 8.9 t -105.0 126.03 51.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 111.165 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -99.59 90.73 4.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -138.67 161.67 25.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.4 p -133.67 148.62 51.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 111.146 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -135.57 148.63 66.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 92.62 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -144.14 170.4 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -122.9 79.62 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 t -48.39 -22.11 0.65 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 tp -75.45 -45.8 36.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.506 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.3 m -103.02 5.84 38.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 55.92 19.84 23.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.517 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 19' ' ' CYS . 41.4 t -101.15 119.35 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 111.164 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -91.78 108.36 19.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.526 ' OH ' HD12 ' A' ' 29' ' ' ILE . 1.7 m-85 -58.38 154.5 13.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 26' ' ' ARG . 80.2 p -88.64 151.85 22.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.75 -32.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' SER . 44.1 ttp180 -84.94 -57.87 2.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.1 tp -46.99 159.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.8 m -135.79 154.04 51.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.526 HD12 ' OH ' ' A' ' 23' ' ' TYR . 6.1 tp -44.6 -44.94 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.493 ' N ' HG23 ' A' ' 29' ' ' ILE . 35.5 mtm180 -62.7 -66.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -39.95 -26.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' ARG . 78.6 t60 -79.37 -64.1 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.509 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 13.9 pt -54.7 -17.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -90.95 25.88 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.4 m -131.32 133.91 45.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.82 -45.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -41.91 -57.44 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.509 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 14.1 t60 -69.38 -41.31 76.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.9 mm -46.33 -54.53 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.3 t -45.43 -57.69 3.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -50.5 -42.58 54.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.475 ' CG2' ' NE2' ' A' ' 38' ' ' HIS . 61.6 t -65.86 -25.49 36.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.073 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 75.7 mmt-85 -85.04 -36.06 21.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' THR . 63.0 mm-40 -74.44 -53.7 9.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' GLU . 11.0 t -37.23 -37.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.54 124.79 67.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 48' ' ' SER . . . -127.66 46.54 1.07 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.483 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' GLY . 15.2 t -34.75 124.22 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 110.866 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -100.05 110.76 23.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.15 139.79 54.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 52' ' ' ARG . 69.2 m-20 -112.15 177.71 4.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' ASP . 5.9 ttm105 -35.03 114.27 0.23 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -124.24 149.18 46.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -128.3 99.87 5.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.889 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.531 -0.227 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -104.35 152.11 22.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.913 0.387 . . . . 0.0 110.87 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.6 p -82.5 164.44 20.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.844 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.13 76.13 0.12 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 m -153.43 168.52 25.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.862 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -127.51 83.21 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.21 -177.6 48.25 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.67 179.68 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.2 p -143.66 148.21 35.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.818 0.342 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.12 143.52 52.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 131.53 70.99 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.528 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.0 p -97.38 82.05 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 111.148 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.3 mmtt -110.76 158.85 34.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.553 0.692 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 92.61 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.639 2.226 . . . . 0.0 112.34 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -136.06 175.59 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -126.55 85.82 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 t -53.8 -19.35 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 tp -79.36 -44.59 21.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.595 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.4 m -103.62 7.38 37.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 52.55 22.83 12.02 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 19' ' ' CYS . 60.3 t -104.25 113.06 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.923 0.392 . . . . 0.0 111.124 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -88.68 103.63 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.578 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 1.4 m-85 -54.29 151.74 7.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 25' ' ' ALA . 16.4 p -87.46 158.37 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.03 -47.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 27' ' ' LEU . 20.9 tpp180 -72.44 -68.47 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 23' ' ' TYR . 32.5 tp -34.31 146.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 29' ' ' ILE . 15.3 m -125.44 146.07 49.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.419 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 4.8 tp -37.57 -38.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -66.16 -61.61 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -44.63 -26.22 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.578 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 76.7 t60 -80.99 -70.07 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.524 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 17.7 pt -44.07 -22.7 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -91.95 33.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' LYS . 69.8 m -134.4 130.35 36.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' SER . 1.2 tmtp? -34.64 -51.26 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -38.87 -54.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.68 ' O ' HG23 ' A' ' 42' ' ' VAL . 17.4 t60 -74.96 -38.4 61.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.7 mm -50.11 -57.35 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -50.92 -54.13 26.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -50.72 -42.14 56.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 38' ' ' HIS . 59.2 t -62.67 -41.5 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -68.02 -35.75 78.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -63.81 -60.74 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.471 HG23 HG12 ' A' ' 46' ' ' VAL . 9.7 t -52.84 -43.35 65.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.471 HG12 HG23 ' A' ' 45' ' ' THR . 10.9 p -137.67 133.06 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.19 -178.85 18.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.7 m -112.43 83.38 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.339 . . . . 0.0 110.822 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -82.45 -58.36 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.17 13.63 7.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -107.91 119.9 40.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.29 158.3 44.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -146.12 123.8 11.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -120.73 111.84 18.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.5 p -125.72 145.79 50.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.809 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 m -82.82 163.88 20.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.02 120.1 6.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -120.58 151.98 38.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.386 . . . . 0.0 110.839 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -70.9 131.63 44.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.92 160.69 5.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.64 -79.33 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.449 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 9' ' ' THR . 13.0 t -50.22 127.05 16.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.349 . . . . 0.0 111.132 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -124.63 162.1 24.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -44.85 134.79 7.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.658 ' O ' HG23 ' A' ' 12' ' ' THR . 9.9 t -84.49 94.04 8.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 111.165 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -150.22 154.7 36.66 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.585 0.707 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 92.61 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -147.7 175.07 11.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -125.9 85.88 2.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -53.51 -16.82 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.1 tp -82.94 -44.3 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.626 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.3 m -105.03 9.63 34.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 48.5 30.8 8.67 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 19' ' ' CYS . 93.8 t -109.39 100.86 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -78.4 103.95 8.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.485 ' OH ' HD12 ' A' ' 29' ' ' ILE . 1.4 m-85 -52.88 152.76 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 26' ' ' ARG . 51.7 p -83.26 150.4 26.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -35.29 -31.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' SER . 55.6 ttm-85 -87.2 -55.44 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 31' ' ' ASP . 31.9 tp -43.97 167.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.7 m -143.59 151.61 40.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 30' ' ' ARG . 4.4 tp -40.36 -46.65 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.497 ' N ' HG23 ' A' ' 29' ' ' ILE . 50.8 mtt180 -58.74 -69.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.46 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 75.0 m-20 -34.56 -36.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' ARG . 75.9 t60 -69.45 -69.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.504 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 16.2 pt -52.15 -18.0 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -88.38 25.53 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' LYS . 2.2 m -139.41 131.05 27.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -35.91 -41.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.889 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -40.86 -53.52 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.504 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 28.0 t60 -68.61 -57.36 5.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.519 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.2 mp -37.66 -56.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.0 t -40.81 -59.08 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -52.29 -41.47 62.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.31 -44.88 99.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -64.3 -32.77 74.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -64.57 -59.46 4.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.701 HG23 HG12 ' A' ' 46' ' ' VAL . 6.6 t -52.96 -44.72 67.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.701 HG12 HG23 ' A' ' 45' ' ' THR . 5.7 p -140.01 135.23 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -129.84 179.76 16.58 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 m -69.15 104.24 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -53.74 -43.09 68.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.7 tt -63.05 95.91 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -92.61 -25.61 18.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -41.96 125.22 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -83.62 141.87 31.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -142.23 148.02 37.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.853 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 m -53.82 -48.3 70.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.847 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -72.5 153.22 41.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.04 120.39 6.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.0 p -106.86 -45.68 4.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 t -44.4 150.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.53 157.5 7.29 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.25 106.2 0.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.414 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 m -64.17 121.46 14.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.763 0.316 . . . . 0.0 111.195 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.78 121.58 8.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.3 112.65 0.76 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.0 p -130.9 -31.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 0.0 111.166 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -87.65 154.41 53.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 92.48 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.735 2.29 . . . . 0.0 112.342 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -133.45 179.56 6.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.499 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 2.0 t -126.49 84.82 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.0 t -53.08 -16.03 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 tp -80.99 -47.87 13.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.446 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.0 m -101.79 4.38 40.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 56.62 26.37 52.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 19' ' ' CYS . 60.0 t -107.75 115.01 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 111.134 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -86.34 105.25 16.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.538 ' HA ' HD23 ' A' ' 27' ' ' LEU . 1.5 m-85 -54.34 138.0 40.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ALA . 64.9 p -74.92 153.04 38.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.56 -38.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -79.39 -62.65 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 23' ' ' TYR . 39.4 tp -39.9 160.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.7 m -137.76 165.37 26.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 30' ' ' ARG . 3.6 tp -54.31 -43.67 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.433 ' N ' HG23 ' A' ' 29' ' ' ILE . 58.1 mtt180 -62.87 -62.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -42.65 -35.58 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.435 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 83.0 t60 -70.91 -69.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.499 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 27.4 pt -47.3 -22.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -90.7 32.22 0.99 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' LYS . 32.0 m -136.55 128.11 28.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -35.93 -51.51 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -38.56 -47.61 1.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.538 ' O ' HG23 ' A' ' 42' ' ' VAL . 12.9 t60 -80.59 -37.02 32.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.2 mm -52.86 -57.59 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 t -40.63 -53.36 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -58.68 -36.69 74.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 38' ' ' HIS . 57.9 t -71.81 -29.59 34.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.084 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.1 mmt-85 -85.41 -26.6 26.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -76.12 -33.41 59.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.448 HG23 HG12 ' A' ' 46' ' ' VAL . 9.5 t -72.82 -43.77 62.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 47' ' ' GLY . 6.8 p -127.91 -50.71 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.56 ' N ' HG13 ' A' ' 46' ' ' VAL . . . 97.99 -150.48 19.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.3 p -95.51 98.9 10.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 0.0 110.861 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.409 ' HG3' ' CG2' ' A' ' 46' ' ' VAL . 38.3 mm-40 -106.53 121.64 44.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.2 mt -94.9 120.9 35.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.22 41.6 3.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -98.91 102.58 14.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -70.17 84.96 0.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -61.48 128.77 37.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.879 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -107.34 -59.2 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.859 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.4 p -48.84 126.46 12.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.24 63.24 0.32 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -51.56 110.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.361 . . . . 0.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -95.34 152.14 18.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.69 89.44 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.01 124.99 3.71 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 m -100.87 123.23 44.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.798 0.333 . . . . 0.0 111.137 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -110.09 160.43 16.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -161.54 160.16 31.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.457 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.6 p -101.31 87.26 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 111.144 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -106.62 143.9 27.94 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.576 0.703 . . . . 0.0 110.922 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 92.6 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.388 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -141.38 161.58 37.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -121.86 83.62 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 t -53.4 -16.07 1.27 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.7 tp -81.49 -46.32 14.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.546 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.8 m -102.77 6.21 39.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 53.32 26.3 29.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.531 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 19' ' ' CYS . 45.2 t -106.64 110.95 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.381 . . . . 0.0 111.102 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -90.49 103.43 16.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.648 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -57.05 139.07 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 26' ' ' ARG . 20.4 t -79.6 153.29 29.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.41 -32.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 24' ' ' SER . 46.9 ttp180 -77.72 -54.7 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.28 161.59 6.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.4 m -132.43 170.3 15.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.55 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 3.1 tp -59.96 -33.8 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' HIS . 54.1 mtm180 -70.97 -65.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -38.81 -26.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.648 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 86.4 t60 -81.11 -69.92 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.519 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 6.6 pt -50.41 -21.8 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -90.39 19.37 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.47 147.59 51.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -48.63 -44.13 37.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -39.78 -45.14 1.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.611 ' O ' HG23 ' A' ' 42' ' ' VAL . 21.0 t60 -83.17 -37.72 23.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.7 mm -53.03 -58.66 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.3 t -41.65 -57.29 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -52.44 -39.47 61.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 38' ' ' HIS . 59.2 t -66.64 -38.26 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.088 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -76.71 -19.91 57.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.813 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -83.73 -56.49 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.8 t -42.98 -35.59 1.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 46' ' ' VAL . 7.1 p -133.71 117.86 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -177.38 -44.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.6 p -100.95 168.25 9.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.52 ' C ' HD13 ' A' ' 50' ' ' LEU . 6.3 pm0 -48.95 160.49 0.19 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.859 ' N ' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -130.8 3.31 4.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.06 -18.63 53.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.5 mmt-85 -122.21 143.73 49.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -111.26 142.92 42.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -62.26 -51.69 66.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.0 m -121.79 86.8 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.924 0.392 . . . . 0.0 110.862 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 t -174.9 135.29 0.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.819 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.06 143.66 16.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 p -44.97 -44.17 9.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 p -89.94 150.84 21.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.99 83.83 0.12 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.37 -98.63 0.11 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.473 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.9 p -58.25 98.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.776 0.322 . . . . 0.0 111.153 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -58.76 -48.07 82.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 62.37 104.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.8 p -95.17 129.84 42.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 111.118 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -50.71 148.47 7.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.627 0.727 . . . . 0.0 110.83 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 92.52 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.683 2.255 . . . . 0.0 112.372 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -141.64 172.43 12.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.0 t -121.28 91.5 3.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -61.18 -9.97 5.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.2 tp -87.87 -44.74 10.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.81 3.65 36.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 59.17 23.64 57.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.477 HG21 ' OE1' ' A' ' 37' ' ' GLN . 46.6 t -105.7 115.77 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.371 . . . . 0.0 111.123 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.2 tttt -91.72 104.57 17.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.518 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 0.7 OUTLIER -55.45 146.55 19.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' ARG . 3.4 m -88.41 153.79 20.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.07 -34.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 24' ' ' SER . 62.0 ttt180 -79.87 -55.36 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 23' ' ' TYR . 37.7 tp -56.01 166.45 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.414 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 14.5 m -146.21 156.98 43.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.512 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 5.1 tp -42.69 -46.8 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.176 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.48 ' N ' HG23 ' A' ' 29' ' ' ILE . 63.5 mtm-85 -57.83 -73.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' ARG . 1.6 m-20 -34.95 -34.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.518 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 81.3 t60 -71.5 -69.96 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.578 HG22 ' CE1' ' A' ' 38' ' ' HIS . 31.6 pt -48.81 -21.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -88.57 28.26 1.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.3 m -132.79 132.97 42.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -40.06 -50.74 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.502 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -37.99 -50.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.928 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.578 ' CE1' HG22 ' A' ' 33' ' ' ILE . 10.6 t60 -75.38 -45.63 37.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.7 mm -42.59 -59.18 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -47.84 -51.03 24.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -52.0 -35.96 48.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.6 t -73.42 -33.92 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.0 mtp-105 -78.53 -21.35 48.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -92.85 -48.92 6.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 t -40.37 -32.01 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 p -114.13 -39.59 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -99.44 90.62 0.98 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.1 p -118.34 152.36 35.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -101.4 89.1 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 51' ' ' ASP . 2.2 pp -132.95 170.77 14.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.59 ' N ' HD12 ' A' ' 50' ' ' LEU . 50.7 m-20 -91.76 97.89 11.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -100.3 119.6 38.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -52.23 126.24 18.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -101.86 105.18 15.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.819 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -133.44 158.68 42.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.7 p -166.02 167.86 16.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.68 52.28 0.58 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -110.72 99.15 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.844 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 t -173.68 141.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.26 -111.56 0.3 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.15 140.37 3.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.437 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.77 108.2 12.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.332 . . . . 0.0 111.142 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -134.87 168.7 18.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 145.61 165.17 11.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 12' ' ' THR . 4.3 t -83.66 82.06 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 111.17 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -108.48 146.14 33.04 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.574 0.702 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 92.53 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -141.44 160.73 39.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.8 t -106.14 93.76 4.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 t -62.51 -12.0 19.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 tp -88.75 -39.76 13.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.665 ' O ' HG23 ' A' ' 21' ' ' VAL . 9.2 m -109.89 10.77 24.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 48.22 29.69 7.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 19' ' ' CYS . 97.4 t -108.53 104.97 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.389 . . . . 0.0 111.168 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -78.93 102.48 8.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.543 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.4 m-85 -54.48 130.82 41.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' ARG . 26.3 m -64.43 156.26 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.27 -24.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.3 tmt_? -93.13 -57.24 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 23' ' ' TYR . 24.7 tp -44.89 157.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.4 m -134.65 153.56 51.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.5 tp -44.98 -39.49 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 31' ' ' ASP . 47.5 mtt85 -62.65 -72.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 30' ' ' ARG . 39.3 m-20 -36.11 -37.26 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -68.57 -69.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.525 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 34.6 pt -48.91 -19.99 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -93.86 30.34 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 36' ' ' LYS . 62.5 m -135.23 127.63 30.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.815 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' SER . 2.2 ttpp -34.38 -52.79 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 20.8 mm-40 -37.2 -52.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 9.2 t60 -75.75 -36.43 59.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.6 mm -50.93 -52.44 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t -46.34 -58.06 4.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.2 tptt -50.23 -44.57 53.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 38' ' ' HIS . 61.8 t -61.26 -29.28 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -82.19 -26.22 33.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' THR . 17.6 mt-10 -84.64 -56.96 3.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 46' ' ' VAL . 5.8 t -34.48 -43.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.469 ' N ' HG23 ' A' ' 45' ' ' THR . 5.6 p -99.89 -43.14 10.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.418 ' N ' HG13 ' A' ' 46' ' ' VAL . . . 71.35 140.97 0.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.509 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 t -132.65 85.54 2.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.342 . . . . 0.0 110.788 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -86.79 106.06 17.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.488 HD12 ' N ' ' A' ' 51' ' ' ASP . 3.2 tp -107.6 111.86 24.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.488 ' N ' HD12 ' A' ' 50' ' ' LEU . 5.4 p-10 -63.77 99.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -124.97 146.26 49.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -38.6 98.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -79.88 142.32 35.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.849 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m 50.44 42.01 25.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m 56.6 42.31 27.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.93 103.76 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 p -121.47 -46.06 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -130.93 133.07 45.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.15 -171.2 12.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -139.78 40.66 1.39 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -89.04 36.49 0.82 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.733 0.302 . . . . 0.0 111.114 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.81 38.14 4.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.44 -60.07 2.92 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.6 p -72.65 74.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.088 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -157.82 145.06 13.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.549 0.69 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 92.55 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.641 2.227 . . . . 0.0 112.389 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -143.72 169.47 17.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.493 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.8 t -121.67 76.41 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -45.96 -21.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.95 -48.05 22.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.548 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.5 m -102.45 5.81 39.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 52.43 26.83 23.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 19' ' ' CYS . 58.9 t -105.92 86.59 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.361 . . . . 0.0 111.151 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -63.76 105.72 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.493 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.8 m-85 -55.79 165.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 26' ' ' ARG . 3.9 p -102.0 156.56 17.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -38.12 -31.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 26' ' ' ARG . 11.6 ttm105 -83.89 -63.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.411 HD23 ' HB3' ' A' ' 23' ' ' TYR . 25.5 tp -40.77 162.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -138.12 144.01 40.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.425 HD12 ' OH ' ' A' ' 23' ' ' TYR . 4.0 tp -39.22 -40.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.104 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 31' ' ' ASP . 63.6 mtt85 -64.35 -70.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' ARG . 16.7 m-20 -34.67 -37.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -66.79 -70.03 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.525 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 40.6 pt -50.52 -22.55 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -88.34 27.55 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 36' ' ' LYS . 20.1 m -139.14 129.77 25.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.7 OUTLIER -34.42 -37.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -44.8 -51.27 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 33.4 t60 -71.41 -53.69 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.621 ' H ' HD12 ' A' ' 39' ' ' ILE . 4.4 mp -43.08 -48.98 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.5 t -46.17 -49.67 16.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -63.7 -35.82 81.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.34 -27.53 37.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -82.26 -37.54 25.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 46' ' ' VAL . 4.5 mm-40 -78.26 -53.45 7.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 44' ' ' GLU . 5.3 t -34.7 -32.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' GLU . 1.8 p -118.75 111.49 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.173 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.54 165.23 5.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.531 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 49' ' ' GLN . 17.1 m -145.6 174.58 11.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.87 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' SER . 33.6 tp60 -36.74 98.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.91 148.62 50.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -128.44 -29.54 2.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -121.63 -35.8 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -62.2 160.67 12.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -103.76 -53.99 2.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.855 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 m -55.59 127.03 27.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.829 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 t -153.78 112.13 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.31 99.54 0.18 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -105.82 84.9 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.843 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -125.24 88.92 2.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.827 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.24 83.56 0.13 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.44 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.52 -38.52 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.519 ' O ' HG22 ' A' ' 9' ' ' THR . 13.8 m -82.81 39.71 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 111.161 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -126.13 112.51 15.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.85 161.48 35.02 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.9 p -74.14 81.73 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 111.165 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -69.68 150.82 96.66 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.534 0.683 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 92.53 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.699 2.266 . . . . 0.0 112.394 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -145.02 164.05 32.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -122.87 71.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -39.77 -27.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.734 HD11 HG21 ' A' ' 45' ' ' THR . 9.8 tp -70.26 -46.67 63.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.513 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.3 m -101.91 4.67 40.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 55.14 21.82 26.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 19' ' ' CYS . 41.4 t -102.42 119.06 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 102.3 14.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.483 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 1.1 m-85 -52.68 160.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 26' ' ' ARG . 30.0 p -90.05 154.59 19.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -38.57 -26.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 24' ' ' SER . 4.0 tpm_? -91.06 -61.63 1.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.2 tp -40.11 155.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 m -128.13 156.39 42.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 tp -48.49 -38.27 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -66.25 -64.53 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -39.51 -32.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.483 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 78.3 t60 -73.57 -70.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.606 HG22 ' CE1' ' A' ' 38' ' ' HIS . 16.3 pt -48.42 -19.88 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -92.74 31.27 1.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.509 ' O ' HD12 ' A' ' 39' ' ' ILE . 16.7 m -138.52 130.44 28.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' SER . 2.1 ttpp -35.63 -51.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' LYS . 11.6 mm100 -37.14 -46.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.606 ' CE1' HG22 ' A' ' 33' ' ' ILE . 21.9 t60 -76.69 -60.54 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.733 ' H ' HD12 ' A' ' 39' ' ' ILE . 4.5 mp -38.29 -48.14 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.8 t -48.5 -50.29 32.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' O ' HG23 ' A' ' 45' ' ' THR . 15.2 tptt -60.62 -40.19 90.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.02 -49.46 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -56.87 -49.24 76.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.41 -57.97 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.734 HG21 HD11 ' A' ' 18' ' ' LEU . 24.2 p -43.73 -51.86 6.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 46' ' ' VAL . 11.3 p -125.15 124.84 68.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -161.79 107.48 0.31 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.3 t -73.91 109.47 7.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.785 0.326 . . . . 0.0 110.848 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -83.32 91.97 7.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' ASP . 80.6 mt -116.95 -44.24 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' LEU . 8.0 t0 -34.91 116.71 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -52.87 144.1 15.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -88.64 105.16 17.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 55' ' ' ASP . 1.9 mmpt? -93.1 -67.3 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 54' ' ' LYS . 8.7 t70 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -152.78 151.86 30.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 t -173.7 168.6 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.03 -164.19 12.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -125.06 134.93 52.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 110.834 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -105.57 114.51 28.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.61 -166.78 34.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 169.05 -168.91 41.55 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.2 t -94.89 146.43 24.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.759 0.314 . . . . 0.0 111.179 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -85.62 114.0 22.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.11 142.71 21.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.5 p -95.51 92.91 6.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.371 . . . . 0.0 111.148 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.461 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 15.9 ttmm -89.29 140.62 28.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 13' ' ' LYS . 54.1 Cg_endo -69.7 92.47 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -142.55 174.51 10.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.8 t -126.25 86.95 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 t -57.88 -13.0 3.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.6 tp -83.78 -47.53 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 m -102.12 4.58 39.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 57.68 24.56 53.51 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.8 t -104.35 108.53 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -83.67 105.06 14.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.556 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -56.1 145.06 26.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 26' ' ' ARG . 1.4 t -80.91 154.91 26.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -35.99 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 24' ' ' SER . 75.5 ttt180 -89.78 -64.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD23 ' HA ' ' A' ' 23' ' ' TYR . 44.8 tp -35.89 149.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -127.59 144.62 51.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.475 HG23 ' N ' ' A' ' 30' ' ' ARG . 4.9 tp -39.05 -46.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.19 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.475 ' N ' HG23 ' A' ' 29' ' ' ILE . 16.2 mtp180 -54.32 -65.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -43.86 -35.18 1.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -72.74 -69.84 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.536 HG22 ' CE1' ' A' ' 38' ' ' HIS . 28.1 pt -46.73 -25.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -86.94 29.66 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.483 ' O ' HD12 ' A' ' 39' ' ' ILE . 73.7 m -133.29 129.55 37.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.4 OUTLIER -34.78 -51.85 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 38' ' ' HIS . 19.0 pt20 -37.37 -47.55 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.536 ' CE1' HG22 ' A' ' 33' ' ' ILE . 22.5 t60 -74.24 -59.02 2.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.63 ' H ' HD12 ' A' ' 39' ' ' ILE . 4.2 mp -39.43 -55.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.1 t -40.99 -54.13 2.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -56.44 -43.63 79.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.7 t -62.03 -33.51 58.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.137 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -77.18 -23.73 51.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -81.0 -55.83 4.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.438 HG23 HG12 ' A' ' 46' ' ' VAL . 14.7 t -48.23 -37.66 16.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.438 HG12 HG23 ' A' ' 45' ' ' THR . 3.4 p -132.53 129.69 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.91 38.72 0.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.7 t -145.45 110.55 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.854 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -90.27 51.88 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.5 tp -113.03 -48.49 2.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.01 156.69 38.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.9 mtm-85 -131.16 101.21 5.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -101.76 78.39 1.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -128.46 83.09 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.868 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 t -43.43 110.25 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 110.829 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.9 p -141.87 128.33 20.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.24 164.18 24.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 p -75.66 117.72 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.7 p -102.15 121.84 42.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.86 155.25 42.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.46 -45.64 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.9 m -58.19 142.35 47.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.333 . . . . 0.0 111.142 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -83.12 95.49 8.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.65 -100.98 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.534 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.4 p -113.93 143.41 44.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.153 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 7.8 ttmm -81.86 140.64 47.04 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.542 0.687 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 13' ' ' LYS . 54.0 Cg_endo -69.74 92.56 0.51 Allowed 'Trans proline' 0 N--CA 1.466 -0.128 0 C-N-CA 122.713 2.276 . . . . 0.0 112.341 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -152.92 169.69 22.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.458 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.8 t -126.21 87.66 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 t -58.65 -13.51 6.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 tp -83.95 -46.63 11.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.464 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.8 m -101.29 3.66 40.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 56.69 26.15 52.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.474 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 19' ' ' CYS . 43.4 t -107.8 101.14 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 111.139 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -77.77 102.09 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.458 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.3 m-85 -52.32 158.39 1.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' ALA . 48.4 t -94.91 150.58 20.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.1 -37.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.066 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' SER . 61.0 ttt180 -75.88 -56.24 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 28' ' ' SER . 46.6 tp -52.9 165.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.433 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 58.6 m -140.88 152.7 45.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.791 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 30' ' ' ARG . 4.0 tp -45.47 -44.24 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.467 ' N ' HG23 ' A' ' 29' ' ' ILE . 5.6 mmt85 -59.49 -62.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.35 -37.63 1.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.425 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 85.4 t60 -67.87 -69.84 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.518 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 38.9 pt -47.04 -22.69 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -93.18 33.04 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 36' ' ' LYS . 55.8 m -137.26 127.19 25.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -34.4 -49.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -40.1 -56.37 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.518 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 10.1 t60 -69.65 -43.31 72.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.6 mm -44.84 -55.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.1 t -47.22 -56.11 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -49.61 -36.87 25.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.2 t -71.65 -30.78 39.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -80.93 -27.9 35.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' VAL . 4.4 mm-40 -87.1 -50.99 6.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' GLU . 4.3 t -36.67 -32.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 44' ' ' GLU . 6.9 p -116.88 -37.93 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.12 69.6 3.23 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.4 p -115.49 -46.24 2.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.848 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -57.26 97.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.517 HD23 ' N ' ' A' ' 51' ' ' ASP . 3.2 tt -46.89 132.42 11.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.517 ' N ' HD23 ' A' ' 50' ' ' LEU . 37.9 t0 -104.82 140.16 38.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.472 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -124.75 163.39 22.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.414 ' OE2' ' C ' ' A' ' 52' ' ' ARG . 2.0 mp0 -132.87 176.79 8.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.98 126.28 26.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t 59.83 42.0 17.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.855 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -143.27 152.33 41.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.52 172.77 27.84 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -88.71 -45.75 9.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 p 44.45 42.36 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.39 -161.91 20.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.5 114.34 1.84 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.1 m -103.58 106.71 17.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 111.14 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.0 44.96 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.8 165.87 28.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.5 t -116.12 134.57 54.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.191 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -133.17 154.55 81.23 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.614 0.721 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 92.6 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -142.42 178.29 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -130.33 83.72 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -52.06 -16.26 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.7 tp -82.66 -46.11 13.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.522 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.2 m -101.5 4.22 40.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 54.75 26.65 40.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 19' ' ' CYS . 59.7 t -108.09 106.71 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -83.53 108.39 16.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.533 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 1.0 OUTLIER -60.05 156.91 13.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 25' ' ' ALA . 11.0 t -95.0 155.6 16.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.04 -38.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 24' ' ' SER . 29.1 ttt180 -78.2 -63.83 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 23' ' ' TYR . 28.9 tp -41.16 159.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.8 m -139.55 155.06 47.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.83 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.428 HG23 ' N ' ' A' ' 30' ' ' ARG . 3.4 tp -43.59 -43.18 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.428 ' N ' HG23 ' A' ' 29' ' ' ILE . 7.4 mmt180 -60.9 -65.08 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.5 -41.17 1.38 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.533 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 78.0 t60 -65.05 -70.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.529 HG22 ' CE1' ' A' ' 38' ' ' HIS . 40.9 pt -48.23 -25.95 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -86.22 30.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' LYS . 9.0 m -137.44 127.36 25.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HA ' HD13 ' A' ' 39' ' ' ILE . 1.7 ttpt -34.6 -51.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' LYS . 59.5 mt-30 -37.15 -50.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.529 ' CE1' HG22 ' A' ' 33' ' ' ILE . 23.2 t60 -67.91 -53.69 24.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.523 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.6 mp -43.03 -55.99 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 t -42.21 -42.45 3.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -70.0 -34.71 73.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 39' ' ' ILE . 95.5 t -68.32 -30.97 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -80.92 -43.8 19.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 45' ' ' THR . 8.9 mm-40 -70.94 -52.95 16.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 44' ' ' GLU . 14.9 t -35.0 -37.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 46' ' ' VAL . 6.1 p -117.5 114.11 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.45 152.53 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 49' ' ' GLN . 70.6 m -130.7 179.56 5.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 48' ' ' SER . 63.3 mt-30 -34.64 100.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -92.62 175.46 6.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -107.25 175.1 5.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -44.09 -38.86 3.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' ARG . 4.8 tt0 -37.07 145.77 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -138.72 142.39 38.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 p30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.912 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -95.46 93.36 7.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 110.828 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 m -95.12 135.97 36.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.97 146.27 6.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.4 m -138.45 176.59 8.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 t -174.56 139.72 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.69 -177.77 26.71 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.99 41.82 6.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.0 m -79.63 111.61 16.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.811 0.339 . . . . 0.0 111.169 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -82.28 171.33 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.05 -177.1 47.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.503 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.5 p -130.53 165.75 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.867 0.365 . . . . 0.0 111.13 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -128.25 152.93 78.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.552 0.692 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 92.63 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.266 . . . . 0.0 112.351 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -140.05 175.19 9.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.456 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 2.7 t -125.78 83.16 2.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 t -52.74 -18.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.147 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.4 tp -77.84 -46.42 21.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.5 m -100.42 1.99 41.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 60.83 22.97 60.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.476 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.8 t -106.97 124.23 62.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.93 0.395 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -95.8 107.08 19.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.4 m-85 -54.95 141.38 33.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 26' ' ' ARG . 36.9 t -76.57 152.71 35.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.814 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -35.33 -31.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' SER . 20.9 ttm180 -87.65 -62.31 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 23' ' ' TYR . 45.5 tp -41.39 162.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.8 m -140.31 163.3 33.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 30' ' ' ARG . 5.8 tp -49.69 -42.73 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.436 ' N ' HG23 ' A' ' 29' ' ' ILE . 33.7 mtt-85 -60.69 -71.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' ARG . 7.1 m-20 -36.38 -34.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.417 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 86.6 t60 -70.53 -69.45 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.486 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 30.5 pt -49.09 -19.56 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -90.28 28.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 36' ' ' LYS . 73.2 m -132.94 129.22 37.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.812 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 35' ' ' SER . 23.1 tptm -35.74 -48.79 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -39.53 -52.93 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.486 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 11.4 t60 -75.92 -41.35 52.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.8 mm -46.88 -58.77 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -48.07 -53.96 14.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -49.89 -35.96 25.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 38' ' ' HIS . 65.0 t -68.94 -39.94 80.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -71.67 -44.46 64.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -53.53 -50.97 64.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.771 HG23 HG12 ' A' ' 46' ' ' VAL . 7.3 t -62.28 -44.46 96.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.771 HG12 HG23 ' A' ' 45' ' ' THR . 4.5 p -144.29 134.14 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.94 -130.04 3.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.6 t -68.93 167.77 15.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.352 . . . . 0.0 110.87 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -112.92 84.87 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.82 152.2 43.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -83.88 46.86 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -84.27 137.48 33.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -108.2 81.43 1.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -90.36 148.13 23.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.863 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 t -164.94 144.59 7.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.377 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -56.1 -55.71 29.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.08 -152.54 24.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.534 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -157.05 122.61 4.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.829 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -127.68 146.68 50.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.44 -88.25 1.74 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.37 78.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.5 m -102.0 102.72 13.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.745 0.307 . . . . 0.0 111.178 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -133.6 41.5 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.26 -94.86 1.54 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.0 p -146.82 123.0 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.351 . . . . 0.0 111.136 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -90.3 154.32 46.69 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.603 0.716 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 92.72 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.71 2.273 . . . . 0.0 112.369 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -139.96 172.45 12.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.7 t -122.03 76.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.7 t -45.01 -23.79 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.192 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.4 tp -75.79 -45.61 35.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.683 ' O ' HG23 ' A' ' 21' ' ' VAL . 8.3 m -102.12 6.37 40.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 50.13 28.09 12.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 19' ' ' CYS . 52.6 t -110.5 96.38 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.43 108.25 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.463 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 2.0 m-85 -57.36 144.57 35.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 26' ' ' ARG . 97.4 p -79.85 154.9 28.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -40.41 -24.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' SER . 28.7 ttt180 -91.5 -51.64 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -53.54 156.71 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 m -130.62 167.25 19.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.8 tp -60.76 -30.14 46.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.152 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.6 mtm-85 -73.85 -65.38 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -40.85 -34.99 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -73.35 -70.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.826 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.525 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 17.8 pt -50.08 -23.51 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -87.13 26.31 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.656 ' O ' HD12 ' A' ' 39' ' ' ILE . 7.2 t -138.49 153.17 48.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' GLN . 1.6 tppp? -51.94 -46.65 64.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.408 ' CG ' ' N ' ' A' ' 38' ' ' HIS . 12.3 pt20 -37.19 -46.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 53.1 t60 -76.24 -57.26 3.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 35' ' ' SER . 3.1 mp -40.98 -57.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' ILE . 11.2 t -38.04 -57.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -56.57 -36.0 68.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.554 ' O ' HG22 ' A' ' 45' ' ' THR . 66.5 t -68.32 -31.03 49.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 47' ' ' GLY . 73.9 mtm180 -78.57 -31.23 47.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -81.73 -45.32 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 42' ' ' VAL . 6.0 t -44.68 -31.9 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 47' ' ' GLY . 5.5 p -119.42 -42.61 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 43.3 93.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.519 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.4 p -60.59 114.33 2.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -45.32 124.84 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.9 mt -89.62 165.42 14.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -75.54 147.15 39.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -45.12 131.43 7.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -123.37 -60.83 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -135.29 135.23 40.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 179.854 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.1 p -122.68 85.14 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 0.0 110.862 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 m -131.79 114.35 14.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.96 85.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 t -114.66 150.67 34.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.912 0.387 . . . . 0.0 110.832 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -63.81 168.49 4.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.37 47.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 168.8 43.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.4 t -109.29 -14.82 14.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.759 0.314 . . . . 0.0 111.124 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -109.02 137.31 47.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -124.46 -91.58 0.93 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.533 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 12' ' ' THR . 5.1 t -120.34 98.13 5.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 111.173 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.62 151.91 79.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.562 0.696 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 92.61 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.297 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -148.18 162.9 38.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -118.96 83.17 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -53.56 -15.76 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.497 HD11 HG21 ' A' ' 45' ' ' THR . 11.9 tp -81.76 -47.06 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.498 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.7 m -102.42 5.36 39.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 54.85 26.38 40.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 19' ' ' CYS . 54.4 t -106.59 107.41 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -84.51 112.15 20.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.559 ' HB3' HD23 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -64.92 159.38 22.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ALA . 2.0 p -93.73 153.06 18.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.13 -40.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.092 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -76.02 -57.2 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.559 HD23 ' HB3' ' A' ' 23' ' ' TYR . 28.3 tp -44.85 166.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.7 m -145.05 147.11 32.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 tp -39.4 -39.15 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' ASP . 53.7 mtm-85 -62.99 -67.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.431 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 14.5 m-20 -37.41 -39.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -66.87 -69.92 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.553 HG22 ' CE1' ' A' ' 38' ' ' HIS . 26.0 pt -50.37 -24.77 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -84.57 25.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 36' ' ' LYS . 56.4 m -136.73 128.33 28.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HA ' HD13 ' A' ' 39' ' ' ILE . 0.9 OUTLIER -34.43 -44.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -39.41 -53.37 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.553 ' CE1' HG22 ' A' ' 33' ' ' ILE . 22.6 t60 -67.08 -56.39 10.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.62 ' H ' HD12 ' A' ' 39' ' ' ILE . 4.2 mp -40.38 -59.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.5 t -38.58 -48.51 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -63.11 -39.56 95.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 39' ' ' ILE . 51.3 t -64.77 -28.89 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 47' ' ' GLY . 34.7 mtt-85 -82.41 -53.49 5.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -52.96 -29.86 31.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.497 HG21 HD11 ' A' ' 18' ' ' LEU . 1.3 p -71.06 -64.87 0.82 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 47' ' ' GLY . 4.1 p -117.06 -32.51 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 34.43 -104.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.455 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.8 t -100.99 147.45 26.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.847 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -83.54 117.63 23.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.787 HD13 ' NH2' ' A' ' 52' ' ' ARG . 1.5 tt -57.55 148.55 23.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.536 ' N ' HD23 ' A' ' 50' ' ' LEU . 34.9 m-20 -77.92 56.47 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.787 ' NH2' HD13 ' A' ' 50' ' ' LEU . 4.2 ptp180 -97.98 161.05 13.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -113.75 -56.78 2.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -86.27 149.38 25.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.868 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p -68.98 -53.37 21.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.34 . . . . 0.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 t -112.65 107.43 16.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.57 -61.93 1.22 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -47.21 -60.97 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.903 0.383 . . . . 0.0 110.807 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m -70.68 123.57 22.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.72 145.53 15.02 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.47 138.46 7.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.4 m -125.18 90.91 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.31 . . . . 0.0 111.147 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -147.17 165.38 30.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 165.08 92.14 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.512 ' O ' HG23 ' A' ' 12' ' ' THR . 6.1 t -93.66 111.23 22.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 111.18 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.87 152.54 56.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.617 0.723 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 92.86 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.362 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -145.7 170.13 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -124.9 77.06 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -47.82 -20.69 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.644 HD11 HG21 ' A' ' 45' ' ' THR . 8.7 tp -76.36 -47.89 21.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.524 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.6 m -102.71 6.54 39.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 53.37 24.37 22.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 19' ' ' CYS . 70.3 t -104.31 97.64 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 111.172 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -74.78 111.39 9.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.51 ' OH ' HD12 ' A' ' 29' ' ' ILE . 1.2 m-85 -63.35 167.57 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 26' ' ' ARG . 2.7 m -101.55 159.24 15.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -38.39 -30.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' LEU . 55.7 ttt180 -85.27 -69.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' ARG . 31.6 tp -37.11 155.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.3 m -131.97 148.84 52.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.51 HD12 ' OH ' ' A' ' 23' ' ' TYR . 3.5 tp -41.78 -35.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.156 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.8 mtt-85 -68.12 -60.42 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -45.4 -34.32 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 35' ' ' SER . 82.9 t60 -71.34 -70.02 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.54 HG22 ' CE1' ' A' ' 38' ' ' HIS . 47.7 pt -44.91 -25.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -87.74 24.16 1.81 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' HIS . 2.5 t -127.92 148.01 50.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -51.9 -52.77 47.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.447 ' HG3' ' N ' ' A' ' 38' ' ' HIS . 11.4 pt20 -36.95 -44.34 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.54 ' CE1' HG22 ' A' ' 33' ' ' ILE . 23.3 t60 -76.95 -47.25 21.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.5 mm -42.46 -61.84 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -42.48 -53.13 4.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -52.88 -44.0 66.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.403 ' CG2' ' NE2' ' A' ' 38' ' ' HIS . 60.4 t -62.39 -28.9 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -86.96 -31.64 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -74.11 -22.54 59.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.644 HG21 HD11 ' A' ' 18' ' ' LEU . 2.0 p -78.36 -51.79 9.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.32 -35.72 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.38 -159.91 0.43 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.6 m -145.61 -179.66 6.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 0.0 110.822 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -39.29 127.0 1.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.3 tp -133.44 137.02 45.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.99 108.47 20.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -91.02 96.11 10.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -99.96 -51.8 3.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -71.23 107.89 4.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 179.847 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.8 p -78.17 136.91 37.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.869 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m 64.59 41.57 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.26 -176.68 44.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p -144.44 173.67 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 110.828 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -153.52 131.23 11.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.96 130.4 6.09 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.07 76.37 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.445 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 57.8 p -82.83 102.77 11.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 111.164 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -116.69 -46.89 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -45.33 133.09 8.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.9 p -92.83 92.85 8.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.373 . . . . 0.0 111.145 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 24.3 ttmt -98.94 139.34 20.96 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.569 0.7 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 13' ' ' LYS . 53.7 Cg_endo -69.81 93.86 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -145.74 165.57 28.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.9 t -117.25 97.67 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 t -69.87 -7.7 42.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.0 tp -90.44 -42.56 10.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.499 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.0 m -104.41 7.38 35.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.26 18.6 29.04 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.449 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 19' ' ' CYS . 61.7 t -102.36 111.92 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -91.27 107.03 18.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.496 ' OH ' HD12 ' A' ' 29' ' ' ILE . 1.7 m-85 -53.73 153.79 4.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.7 t -88.62 166.87 13.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.67 -17.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -100.77 -62.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 31' ' ' ASP . 46.7 tp -41.95 164.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.412 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 15.7 m -139.98 164.75 29.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.671 HG23 ' HD2' ' A' ' 30' ' ' ARG . 4.5 tp -54.02 -35.07 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.671 ' HD2' HG23 ' A' ' 29' ' ' ILE . 6.5 mpt_? -67.44 -67.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.473 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 44.4 m-20 -38.79 -30.49 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 30' ' ' ARG . 82.8 t60 -77.46 -70.12 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.827 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.525 HG23 ' O ' ' A' ' 29' ' ' ILE . 16.2 pt -50.81 -18.96 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -90.95 24.93 2.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 36' ' ' LYS . 43.2 m -138.77 130.2 27.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 35' ' ' SER . 16.5 tttp -33.54 -43.32 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -39.6 -56.43 1.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.515 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 26.6 t60 -67.62 -57.64 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.607 ' H ' HD12 ' A' ' 39' ' ' ILE . 4.1 mp -37.75 -45.63 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 t -48.58 -58.1 5.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -55.44 -38.59 69.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.9 t -59.75 -33.47 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -80.88 -30.19 35.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -72.67 -55.34 6.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.463 HG23 HG12 ' A' ' 46' ' ' VAL . 6.9 t -39.04 -44.47 1.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.463 HG12 HG23 ' A' ' 45' ' ' THR . 4.8 p -123.61 116.45 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.43 163.39 9.42 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 49' ' ' GLN . 83.8 p -107.67 42.95 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' SER . 33.6 tp60 -35.1 126.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 tp -122.89 95.74 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.5 112.81 9.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 53' ' ' GLU . 4.7 ppt_? -94.88 -34.36 12.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.463 ' N ' ' HD2' ' A' ' 52' ' ' ARG . 15.4 mt-10 -59.57 156.52 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -112.99 146.03 39.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 t -130.79 147.84 52.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.0 p -117.37 175.36 5.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -80.76 -73.48 1.17 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 4' ' ' GLY . 92.9 p 35.39 41.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.351 . . . . 0.0 110.876 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 m -159.92 119.66 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.0 -157.86 1.03 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.445 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.91 115.22 4.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.4 p -41.14 135.45 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 111.088 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -125.88 173.62 8.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -121.38 -113.91 2.3 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.477 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.9 p -108.13 157.1 18.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 111.143 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.49 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 2.9 tppp? -115.37 136.49 22.73 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.701 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.49 ' HD2' ' CD ' ' A' ' 13' ' ' LYS . 53.6 Cg_endo -69.73 92.59 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -138.58 170.83 15.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -129.17 73.55 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -44.69 -23.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.3 tp -71.85 -48.07 48.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.401 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.5 m -102.41 5.18 39.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 58.81 15.73 28.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 19' ' ' CYS . 60.5 t -96.33 121.82 47.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.917 0.389 . . . . 0.0 111.156 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.99 101.74 13.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 1.2 m-85 -52.98 164.45 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 26' ' ' ARG . 20.4 t -102.99 158.19 16.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -37.37 -28.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.072 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 24' ' ' SER . 22.5 tpt180 -87.62 -68.45 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 26' ' ' ARG . 30.1 tp -38.98 159.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -136.17 149.83 48.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 30' ' ' ARG . 3.7 tp -41.41 -43.06 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.142 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' HIS . 63.1 mtt180 -63.16 -68.92 0.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -38.68 -28.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.46 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 73.9 t60 -77.12 -70.04 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.602 HG22 ' CE1' ' A' ' 38' ' ' HIS . 21.9 pt -45.72 -23.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -87.06 28.25 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 36' ' ' LYS . 69.5 m -131.95 129.28 40.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 35' ' ' SER . 19.8 tttt -35.49 -45.49 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -41.91 -52.52 4.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.602 ' CE1' HG22 ' A' ' 33' ' ' ILE . 17.6 t60 -74.17 -44.66 52.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.4 mm -43.48 -58.66 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -48.22 -50.85 27.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -55.45 -33.68 63.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.456 ' CG2' ' CD2' ' A' ' 38' ' ' HIS . 62.2 t -70.43 -36.22 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -79.47 -30.48 42.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -80.85 -51.31 8.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 42' ' ' VAL . 5.6 t -41.07 -32.05 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.1 p -124.65 117.16 49.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.47 153.67 0.66 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' GLN . 30.3 t -104.04 41.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.808 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -34.66 -41.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.2 tp -85.54 101.24 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -107.84 172.09 7.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -73.73 173.26 10.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 54' ' ' LYS . 33.5 mt-10 -123.92 -52.4 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 53' ' ' GLU . 1.0 OUTLIER -35.51 -57.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -83.96 -60.22 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m 54.29 42.13 31.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.25 150.61 21.2 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -167.91 148.66 5.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 110.868 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.1 m -110.11 177.03 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.41 152.73 22.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.506 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.99 80.49 0.25 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.483 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 m -63.95 -59.27 4.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 111.106 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -90.39 90.47 8.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.61 106.89 0.42 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 p -94.31 109.51 21.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 111.165 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -98.79 146.93 32.49 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 96.08 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.362 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -147.25 166.16 27.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.4 t -123.86 78.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.7 t -51.78 -16.77 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 tp -78.69 -48.02 15.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.4 m -101.47 5.0 41.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 60.79 18.69 53.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.7 t -99.8 113.8 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.22 102.16 14.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.402 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 0.4 OUTLIER -54.84 164.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.0 t -99.58 174.56 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.19 -17.38 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.069 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -98.58 -60.96 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.435 ' CD1' ' HB2' ' A' ' 31' ' ' ASP . 35.3 tp -45.34 154.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' ILE . 19.8 m -132.31 148.25 52.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 30' ' ' ARG . 5.4 tp -36.87 -45.65 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.477 ' N ' HG23 ' A' ' 29' ' ' ILE . 0.7 OUTLIER -57.13 -68.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.435 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 77.8 m-20 -35.98 -40.81 0.21 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.402 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 86.4 t60 -67.32 -70.66 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.535 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 18.4 pt -49.61 -23.19 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -88.15 29.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 36' ' ' LYS . 51.7 m -136.18 127.55 28.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -34.14 -51.03 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 48.6 mm-40 -37.11 -54.02 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.535 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 8.9 t60 -72.98 -36.1 67.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.1 mm -51.07 -54.36 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 t -48.79 -43.05 37.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -63.64 -37.14 86.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.47 ' CG2' ' NE2' ' A' ' 38' ' ' HIS . 61.1 t -70.67 -27.14 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -84.95 -33.76 22.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -81.06 -50.17 9.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.9 t -39.95 -32.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.449 HG13 ' N ' ' A' ' 47' ' ' GLY . 5.5 p -116.46 -44.95 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.449 ' N ' HG13 ' A' ' 46' ' ' VAL . . . -39.35 130.27 2.21 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.9 p -71.19 116.56 11.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -98.01 171.62 8.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mp -118.85 84.91 2.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.58 109.25 19.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.1 ptt85 -118.6 147.71 43.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -130.11 169.24 15.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.76 157.04 44.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.2 t0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.883 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.23 0.111 0 CA-C-O 120.746 0.227 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -144.65 169.17 18.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -122.21 73.04 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 t -41.04 -27.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 tp -70.01 -48.26 58.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.622 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.2 m -103.5 7.6 37.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 49.09 29.04 8.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.448 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 19' ' ' CYS . 82.4 t -105.86 84.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 111.167 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 109.03 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 2.0 m-85 -59.74 145.99 43.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 26' ' ' ARG . 58.3 m -81.59 149.33 28.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.96 -32.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.065 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.6 tpm_? -84.09 -59.83 2.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 28' ' ' SER . 44.1 tp -44.77 167.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.439 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 15.9 m -142.34 158.06 44.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.6 tp -50.33 -40.6 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.609 ' HD3' HD11 ' A' ' 33' ' ' ILE . 14.9 mmt85 -62.91 -59.99 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -45.87 -35.36 4.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.4 ' CD2' ' HE1' ' A' ' 23' ' ' TYR . 84.2 t60 -71.91 -69.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.609 HD11 ' HD3' ' A' ' 30' ' ' ARG . 44.9 pt -47.79 -22.58 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -93.25 33.83 1.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.478 ' O ' HD12 ' A' ' 39' ' ' ILE . 2.8 m -144.45 131.15 20.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -34.38 -44.5 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -40.22 -50.61 2.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.514 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 20.7 t60 -75.29 -59.46 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.653 ' H ' HD12 ' A' ' 39' ' ' ILE . 4.7 mp -38.73 -56.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 t -40.73 -55.94 2.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -56.06 -36.56 68.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.868 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.74 0.225 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -144.14 170.4 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -122.9 79.62 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 t -48.39 -22.11 0.65 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 tp -75.45 -45.8 36.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.506 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.3 m -103.02 5.84 38.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 55.92 19.84 23.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.517 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 19' ' ' CYS . 41.4 t -101.15 119.35 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 111.164 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -91.78 108.36 19.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.526 ' OH ' HD12 ' A' ' 29' ' ' ILE . 1.7 m-85 -58.38 154.5 13.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 26' ' ' ARG . 80.2 p -88.64 151.85 22.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.75 -32.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' SER . 44.1 ttp180 -84.94 -57.87 2.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.1 tp -46.99 159.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.8 m -135.79 154.04 51.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.526 HD12 ' OH ' ' A' ' 23' ' ' TYR . 6.1 tp -44.6 -44.94 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.493 ' N ' HG23 ' A' ' 29' ' ' ILE . 35.5 mtm180 -62.7 -66.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -39.95 -26.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' ARG . 78.6 t60 -79.37 -64.1 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.509 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 13.9 pt -54.7 -17.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -90.95 25.88 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.4 m -131.32 133.91 45.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.82 -45.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -41.91 -57.44 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.509 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 14.1 t60 -69.38 -41.31 76.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.9 mm -46.33 -54.53 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.3 t -45.43 -57.69 3.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -50.5 -42.58 54.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.475 ' CG2' ' NE2' ' A' ' 38' ' ' HIS . 61.6 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.073 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.721 0.217 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -136.06 175.59 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -126.55 85.82 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 t -53.8 -19.35 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 tp -79.36 -44.59 21.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.595 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.4 m -103.62 7.38 37.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 52.55 22.83 12.02 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 19' ' ' CYS . 60.3 t -104.25 113.06 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.923 0.392 . . . . 0.0 111.124 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -88.68 103.63 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.578 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 1.4 m-85 -54.29 151.74 7.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 25' ' ' ALA . 16.4 p -87.46 158.37 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.03 -47.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 27' ' ' LEU . 20.9 tpp180 -72.44 -68.47 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 23' ' ' TYR . 32.5 tp -34.31 146.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 29' ' ' ILE . 15.3 m -125.44 146.07 49.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.419 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 4.8 tp -37.57 -38.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -66.16 -61.61 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -44.63 -26.22 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.578 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 76.7 t60 -80.99 -70.07 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.524 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 17.7 pt -44.07 -22.7 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -91.95 33.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.447 ' HB3' ' NE2' ' A' ' 37' ' ' GLN . 69.8 m -134.4 130.35 36.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' SER . 1.2 tmtp? -34.64 -51.26 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.447 ' NE2' ' HB3' ' A' ' 35' ' ' SER . 1.3 mp0 -38.87 -54.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.68 ' O ' HG23 ' A' ' 42' ' ' VAL . 17.4 t60 -74.96 -38.4 61.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.7 mm -50.11 -57.35 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -50.92 -54.13 26.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -50.72 -42.14 56.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 38' ' ' HIS . 59.2 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.7 0.208 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -147.7 175.07 11.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -125.9 85.88 2.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -53.51 -16.82 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.1 tp -82.94 -44.3 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.626 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.3 m -105.03 9.63 34.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 48.5 30.8 8.67 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 19' ' ' CYS . 93.8 t -109.39 100.86 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -78.4 103.95 8.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.485 ' OH ' HD12 ' A' ' 29' ' ' ILE . 1.4 m-85 -52.88 152.76 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 26' ' ' ARG . 51.7 p -83.26 150.4 26.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -35.29 -31.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' SER . 55.6 ttm-85 -87.2 -55.44 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 31' ' ' ASP . 31.9 tp -43.97 167.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.7 m -143.59 151.61 40.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 30' ' ' ARG . 4.4 tp -40.36 -46.65 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.497 ' N ' HG23 ' A' ' 29' ' ' ILE . 50.8 mtt180 -58.74 -69.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.46 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 75.0 m-20 -34.56 -36.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' ARG . 75.9 t60 -69.45 -69.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.504 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 16.2 pt -52.15 -18.0 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -88.38 25.53 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' LYS . 2.2 m -139.41 131.05 27.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -35.91 -41.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.889 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -40.86 -53.52 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.504 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 28.0 t60 -68.61 -57.36 5.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.519 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.2 mp -37.66 -56.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.0 t -40.81 -59.08 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -52.29 -41.47 62.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.855 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.16 0 CA-C-O 120.704 0.21 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -133.45 179.56 6.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.499 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 2.0 t -126.49 84.82 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.0 t -53.08 -16.03 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 tp -80.99 -47.87 13.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.446 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.0 m -101.79 4.38 40.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 56.62 26.37 52.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 19' ' ' CYS . 60.0 t -107.75 115.01 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 111.134 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -86.34 105.25 16.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.538 ' HA ' HD23 ' A' ' 27' ' ' LEU . 1.5 m-85 -54.34 138.0 40.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ALA . 64.9 p -74.92 153.04 38.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.56 -38.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -79.39 -62.65 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 23' ' ' TYR . 39.4 tp -39.9 160.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.7 m -137.76 165.37 26.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 30' ' ' ARG . 3.6 tp -54.31 -43.67 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.433 ' N ' HG23 ' A' ' 29' ' ' ILE . 58.1 mtt180 -62.87 -62.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -42.65 -35.58 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.435 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 83.0 t60 -70.91 -69.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.499 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 27.4 pt -47.3 -22.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -90.7 32.22 0.99 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' LYS . 32.0 m -136.55 128.11 28.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -35.93 -51.51 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -38.56 -47.61 1.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.538 ' O ' HG23 ' A' ' 42' ' ' VAL . 12.9 t60 -80.59 -37.02 32.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.2 mm -52.86 -57.59 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 t -40.63 -53.36 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -58.68 -36.69 74.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 38' ' ' HIS . 57.9 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.084 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.466 -0.144 0 CA-C-O 120.766 0.236 . . . . 0.0 112.388 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -141.38 161.58 37.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -121.86 83.62 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 t -53.4 -16.07 1.27 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.7 tp -81.49 -46.32 14.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.546 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.8 m -102.77 6.21 39.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 53.32 26.3 29.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.531 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 19' ' ' CYS . 45.2 t -106.64 110.95 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.381 . . . . 0.0 111.102 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -90.49 103.43 16.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.648 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -57.05 139.07 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 26' ' ' ARG . 20.4 t -79.6 153.29 29.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.41 -32.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 24' ' ' SER . 46.9 ttp180 -77.72 -54.7 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.28 161.59 6.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.4 m -132.43 170.3 15.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.55 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 3.1 tp -59.96 -33.8 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' HIS . 54.1 mtm180 -70.97 -65.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -38.81 -26.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.648 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 86.4 t60 -81.11 -69.92 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.519 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 6.6 pt -50.41 -21.8 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -90.39 19.37 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.47 147.59 51.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -48.63 -44.13 37.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -39.78 -45.14 1.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.611 ' O ' HG23 ' A' ' 42' ' ' VAL . 21.0 t60 -83.17 -37.72 23.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.7 mm -53.03 -58.66 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.3 t -41.65 -57.29 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -52.44 -39.47 61.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 38' ' ' HIS . 59.2 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.088 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.16 0 CA-C-O 120.758 0.232 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -141.64 172.43 12.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.0 t -121.28 91.5 3.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -61.18 -9.97 5.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.2 tp -87.87 -44.74 10.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.81 3.65 36.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 59.17 23.64 57.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.627 HG21 ' NE2' ' A' ' 37' ' ' GLN . 46.6 t -105.7 115.77 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.371 . . . . 0.0 111.123 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.2 tttt -91.72 104.57 17.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.518 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 0.7 OUTLIER -55.45 146.55 19.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' ARG . 3.4 m -88.41 153.79 20.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.07 -34.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 24' ' ' SER . 62.0 ttt180 -79.87 -55.36 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 23' ' ' TYR . 37.7 tp -56.01 166.45 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.414 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 14.5 m -146.21 156.98 43.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.512 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 5.1 tp -42.69 -46.8 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.176 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.48 ' N ' HG23 ' A' ' 29' ' ' ILE . 63.5 mtm-85 -57.83 -73.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' ARG . 1.6 m-20 -34.95 -34.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.518 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 81.3 t60 -71.5 -69.96 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.578 HG22 ' CE1' ' A' ' 38' ' ' HIS . 31.6 pt -48.81 -21.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -88.57 28.26 1.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.3 m -132.79 132.97 42.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -40.06 -50.74 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.627 ' NE2' HG21 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -37.99 -50.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.928 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.578 ' CE1' HG22 ' A' ' 33' ' ' ILE . 10.6 t60 -75.38 -45.63 37.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.7 mm -42.59 -59.18 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -47.84 -51.03 24.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -52.0 -35.96 48.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.6 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.845 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 120.688 0.203 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -141.44 160.73 39.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.8 t -106.14 93.76 4.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 t -62.51 -12.0 19.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 tp -88.75 -39.76 13.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.665 ' O ' HG23 ' A' ' 21' ' ' VAL . 9.2 m -109.89 10.77 24.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 48.22 29.69 7.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 19' ' ' CYS . 97.4 t -108.53 104.97 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.389 . . . . 0.0 111.168 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -78.93 102.48 8.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.543 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.4 m-85 -54.48 130.82 41.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' ARG . 26.3 m -64.43 156.26 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.27 -24.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.3 tmt_? -93.13 -57.24 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 23' ' ' TYR . 24.7 tp -44.89 157.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.4 m -134.65 153.56 51.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.5 tp -44.98 -39.49 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 31' ' ' ASP . 47.5 mtt85 -62.65 -72.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 30' ' ' ARG . 39.3 m-20 -36.11 -37.26 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -68.57 -69.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.525 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 34.6 pt -48.91 -19.99 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -93.86 30.34 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 36' ' ' LYS . 62.5 m -135.23 127.63 30.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.815 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' SER . 2.2 ttpp -34.38 -52.79 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 20.8 mm-40 -37.2 -52.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 9.2 t60 -75.75 -36.43 59.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.6 mm -50.93 -52.44 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t -46.34 -58.06 4.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.2 tptt -50.23 -44.57 53.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 38' ' ' HIS . 61.8 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.754 0.231 . . . . 0.0 112.389 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -143.72 169.47 17.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.493 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.8 t -121.67 76.41 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -45.96 -21.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.95 -48.05 22.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.548 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.5 m -102.45 5.81 39.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 52.43 26.83 23.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 19' ' ' CYS . 58.9 t -105.92 86.59 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.361 . . . . 0.0 111.151 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -63.76 105.72 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.493 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.8 m-85 -55.79 165.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 26' ' ' ARG . 3.9 p -102.0 156.56 17.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -38.12 -31.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 26' ' ' ARG . 11.6 ttm105 -83.89 -63.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.411 HD23 ' HB3' ' A' ' 23' ' ' TYR . 25.5 tp -40.77 162.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -138.12 144.01 40.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.425 HD12 ' OH ' ' A' ' 23' ' ' TYR . 4.0 tp -39.22 -40.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.104 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 31' ' ' ASP . 63.6 mtt85 -64.35 -70.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' ARG . 16.7 m-20 -34.67 -37.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -66.79 -70.03 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.525 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 40.6 pt -50.52 -22.55 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -88.34 27.55 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 36' ' ' LYS . 20.1 m -139.14 129.77 25.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.7 OUTLIER -34.42 -37.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -44.8 -51.27 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 33.4 t60 -71.41 -53.69 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.621 ' H ' HD12 ' A' ' 39' ' ' ILE . 4.4 mp -43.08 -48.98 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.5 t -46.17 -49.67 16.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -63.7 -35.82 81.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.877 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.745 0.227 . . . . 0.0 112.394 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -145.02 164.05 32.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -122.87 71.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -39.77 -27.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 16' ' ' CYS . 9.8 tp -70.26 -46.67 63.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.513 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.3 m -101.91 4.67 40.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 55.14 21.82 26.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 19' ' ' CYS . 41.4 t -102.42 119.06 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 102.3 14.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.483 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 1.1 m-85 -52.68 160.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 26' ' ' ARG . 30.0 p -90.05 154.59 19.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -38.57 -26.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 24' ' ' SER . 4.0 tpm_? -91.06 -61.63 1.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.2 tp -40.11 155.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 m -128.13 156.39 42.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 tp -48.49 -38.27 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -66.25 -64.53 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -39.51 -32.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.483 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 78.3 t60 -73.57 -70.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.606 HG22 ' CE1' ' A' ' 38' ' ' HIS . 16.3 pt -48.42 -19.88 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -92.74 31.27 1.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.509 ' O ' HD12 ' A' ' 39' ' ' ILE . 16.7 m -138.52 130.44 28.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' SER . 2.1 ttpp -35.63 -51.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' LYS . 11.6 mm100 -37.14 -46.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.606 ' CE1' HG22 ' A' ' 33' ' ' ILE . 21.9 t60 -76.69 -60.54 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.733 ' H ' HD12 ' A' ' 39' ' ' ILE . 4.5 mp -38.29 -48.14 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.8 t -48.5 -50.29 32.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -60.62 -40.19 90.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.878 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.674 0.198 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -142.55 174.51 10.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.8 t -126.25 86.95 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 t -57.88 -13.0 3.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.6 tp -83.78 -47.53 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 m -102.12 4.58 39.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 57.68 24.56 53.51 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.8 t -104.35 108.53 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -83.67 105.06 14.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.556 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -56.1 145.06 26.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 26' ' ' ARG . 1.4 t -80.91 154.91 26.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -35.99 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 24' ' ' SER . 75.5 ttt180 -89.78 -64.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD23 ' HA ' ' A' ' 23' ' ' TYR . 44.8 tp -35.89 149.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -127.59 144.62 51.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.475 HG23 ' N ' ' A' ' 30' ' ' ARG . 4.9 tp -39.05 -46.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.19 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.475 ' N ' HG23 ' A' ' 29' ' ' ILE . 16.2 mtp180 -54.32 -65.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -43.86 -35.18 1.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -72.74 -69.84 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.536 HG22 ' CE1' ' A' ' 38' ' ' HIS . 28.1 pt -46.73 -25.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -86.94 29.66 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.483 ' O ' HD12 ' A' ' 39' ' ' ILE . 73.7 m -133.29 129.55 37.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.4 OUTLIER -34.78 -51.85 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 38' ' ' HIS . 19.0 pt20 -37.37 -47.55 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.536 ' CE1' HG22 ' A' ' 33' ' ' ILE . 22.5 t60 -74.24 -59.02 2.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.63 ' H ' HD12 ' A' ' 39' ' ' ILE . 4.2 mp -39.43 -55.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.1 t -40.99 -54.13 2.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -56.44 -43.63 79.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.137 179.841 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.466 -0.128 0 CA-C-O 120.747 0.228 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -152.92 169.69 22.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.458 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.8 t -126.21 87.66 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 t -58.65 -13.51 6.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 tp -83.95 -46.63 11.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.464 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.8 m -101.29 3.66 40.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 56.69 26.15 52.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.474 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 19' ' ' CYS . 43.4 t -107.8 101.14 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 111.139 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -77.77 102.09 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.458 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.3 m-85 -52.32 158.39 1.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' ALA . 48.4 t -94.91 150.58 20.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.1 -37.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.066 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' SER . 61.0 ttt180 -75.88 -56.24 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 28' ' ' SER . 46.6 tp -52.9 165.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.433 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 58.6 m -140.88 152.7 45.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.791 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 30' ' ' ARG . 4.0 tp -45.47 -44.24 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.467 ' N ' HG23 ' A' ' 29' ' ' ILE . 5.6 mmt85 -59.49 -62.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.35 -37.63 1.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.425 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 85.4 t60 -67.87 -69.84 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.518 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 38.9 pt -47.04 -22.69 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -93.18 33.04 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 36' ' ' LYS . 55.8 m -137.26 127.19 25.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -34.4 -49.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -40.1 -56.37 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.518 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 10.1 t60 -69.65 -43.31 72.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.6 mm -44.84 -55.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.1 t -47.22 -56.11 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -49.61 -36.87 25.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.2 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.841 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.75 0.229 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -142.42 178.29 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -130.33 83.72 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -52.06 -16.26 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.7 tp -82.66 -46.11 13.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.522 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.2 m -101.5 4.22 40.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 54.75 26.65 40.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 19' ' ' CYS . 59.7 t -108.09 106.71 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -83.53 108.39 16.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.533 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 1.0 OUTLIER -60.05 156.91 13.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 25' ' ' ALA . 11.0 t -95.0 155.6 16.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.04 -38.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 24' ' ' SER . 29.1 ttt180 -78.2 -63.83 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 23' ' ' TYR . 28.9 tp -41.16 159.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.8 m -139.55 155.06 47.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.83 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.428 HG23 ' N ' ' A' ' 30' ' ' ARG . 3.4 tp -43.59 -43.18 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.428 ' N ' HG23 ' A' ' 29' ' ' ILE . 7.4 mmt180 -60.9 -65.08 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.5 -41.17 1.38 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.533 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 78.0 t60 -65.05 -70.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.529 HG22 ' CE1' ' A' ' 38' ' ' HIS . 40.9 pt -48.23 -25.95 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -86.22 30.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' LYS . 9.0 m -137.44 127.36 25.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HA ' HD13 ' A' ' 39' ' ' ILE . 1.7 ttpt -34.6 -51.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' LYS . 59.5 mt-30 -37.15 -50.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.529 ' CE1' HG22 ' A' ' 33' ' ' ILE . 23.2 t60 -67.91 -53.69 24.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.523 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.6 mp -43.03 -55.99 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 t -42.21 -42.45 3.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -70.0 -34.71 73.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 39' ' ' ILE . 95.5 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.694 0.206 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -140.05 175.19 9.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.456 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 2.7 t -125.78 83.16 2.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 t -52.74 -18.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.147 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.4 tp -77.84 -46.42 21.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.5 m -100.42 1.99 41.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 60.83 22.97 60.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.476 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.8 t -106.97 124.23 62.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.93 0.395 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -95.8 107.08 19.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.4 m-85 -54.95 141.38 33.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 26' ' ' ARG . 36.9 t -76.57 152.71 35.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.814 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -35.33 -31.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' SER . 20.9 ttm180 -87.65 -62.31 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 23' ' ' TYR . 45.5 tp -41.39 162.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.8 m -140.31 163.3 33.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 30' ' ' ARG . 5.8 tp -49.69 -42.73 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.436 ' N ' HG23 ' A' ' 29' ' ' ILE . 33.7 mtt-85 -60.69 -71.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' ARG . 7.1 m-20 -36.38 -34.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.417 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 86.6 t60 -70.53 -69.45 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.486 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 30.5 pt -49.09 -19.56 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -90.28 28.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 36' ' ' LYS . 73.2 m -132.94 129.22 37.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.812 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 35' ' ' SER . 23.1 tptm -35.74 -48.79 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -39.53 -52.93 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.486 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 11.4 t60 -75.92 -41.35 52.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.8 mm -46.88 -58.77 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -48.07 -53.96 14.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -49.89 -35.96 25.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 38' ' ' HIS . 65.0 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.146 0 CA-C-O 120.757 0.232 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -139.96 172.45 12.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.7 t -122.03 76.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.7 t -45.01 -23.79 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.192 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.4 tp -75.79 -45.61 35.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.683 ' O ' HG23 ' A' ' 21' ' ' VAL . 8.3 m -102.12 6.37 40.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 50.13 28.09 12.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 19' ' ' CYS . 52.6 t -110.5 96.38 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.43 108.25 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.463 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 2.0 m-85 -57.36 144.57 35.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 26' ' ' ARG . 97.4 p -79.85 154.9 28.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -40.41 -24.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' SER . 28.7 ttt180 -91.5 -51.64 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -53.54 156.71 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 m -130.62 167.25 19.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.8 tp -60.76 -30.14 46.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.152 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.6 mtm-85 -73.85 -65.38 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -40.85 -34.99 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -73.35 -70.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.826 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.525 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 17.8 pt -50.08 -23.51 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -87.13 26.31 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.656 ' O ' HD12 ' A' ' 39' ' ' ILE . 7.2 t -138.49 153.17 48.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' GLN . 1.6 tppp? -51.94 -46.65 64.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.408 ' CG ' ' N ' ' A' ' 38' ' ' HIS . 12.3 pt20 -37.19 -46.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 53.1 t60 -76.24 -57.26 3.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 35' ' ' SER . 3.1 mp -40.98 -57.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' ILE . 11.2 t -38.04 -57.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -56.57 -36.0 68.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' ILE . 66.5 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.721 0.217 . . . . 0.0 112.297 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -148.18 162.9 38.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -118.96 83.17 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -53.56 -15.76 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.9 tp -81.76 -47.06 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.498 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.7 m -102.42 5.36 39.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 54.85 26.38 40.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 19' ' ' CYS . 54.4 t -106.59 107.41 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -84.51 112.15 20.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.559 ' HB3' HD23 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -64.92 159.38 22.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ALA . 2.0 p -93.73 153.06 18.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.13 -40.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.092 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -76.02 -57.2 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.559 HD23 ' HB3' ' A' ' 23' ' ' TYR . 28.3 tp -44.85 166.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.7 m -145.05 147.11 32.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 tp -39.4 -39.15 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' ASP . 53.7 mtm-85 -62.99 -67.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.431 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 14.5 m-20 -37.41 -39.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -66.87 -69.92 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.553 HG22 ' CE1' ' A' ' 38' ' ' HIS . 26.0 pt -50.37 -24.77 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -84.57 25.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 36' ' ' LYS . 56.4 m -136.73 128.33 28.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HA ' HD13 ' A' ' 39' ' ' ILE . 0.9 OUTLIER -34.43 -44.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -39.41 -53.37 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.553 ' CE1' HG22 ' A' ' 33' ' ' ILE . 22.6 t60 -67.08 -56.39 10.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.62 ' H ' HD12 ' A' ' 39' ' ' ILE . 4.2 mp -40.38 -59.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.5 t -38.58 -48.51 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -63.11 -39.56 95.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 39' ' ' ILE . 51.3 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.733 0.222 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -145.7 170.13 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -124.9 77.06 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -47.82 -20.69 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.7 tp -76.36 -47.89 21.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.524 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.6 m -102.71 6.54 39.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 53.37 24.37 22.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 19' ' ' CYS . 70.3 t -104.31 97.64 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 111.172 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -74.78 111.39 9.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.51 ' OH ' HD12 ' A' ' 29' ' ' ILE . 1.2 m-85 -63.35 167.57 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 26' ' ' ARG . 2.7 m -101.55 159.24 15.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -38.39 -30.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' LEU . 55.7 ttt180 -85.27 -69.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' ARG . 31.6 tp -37.11 155.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.3 m -131.97 148.84 52.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.51 HD12 ' OH ' ' A' ' 23' ' ' TYR . 3.5 tp -41.78 -35.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.156 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.8 mtt-85 -68.12 -60.42 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -45.4 -34.32 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 35' ' ' SER . 82.9 t60 -71.34 -70.02 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.54 HG22 ' CE1' ' A' ' 38' ' ' HIS . 47.7 pt -44.91 -25.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -87.74 24.16 1.81 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' HIS . 2.5 t -127.92 148.01 50.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -51.9 -52.77 47.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.447 ' HG3' ' N ' ' A' ' 38' ' ' HIS . 11.4 pt20 -36.95 -44.34 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.54 ' CE1' HG22 ' A' ' 33' ' ' ILE . 23.3 t60 -76.95 -47.25 21.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.5 mm -42.46 -61.84 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -42.48 -53.13 4.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -52.88 -44.0 66.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.403 ' CG2' ' NE2' ' A' ' 38' ' ' HIS . 60.4 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.12 0 CA-C-O 120.734 0.222 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -145.74 165.57 28.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.9 t -117.25 97.67 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 t -69.87 -7.7 42.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.0 tp -90.44 -42.56 10.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.499 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.0 m -104.41 7.38 35.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.26 18.6 29.04 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.449 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 19' ' ' CYS . 61.7 t -102.36 111.92 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -91.27 107.03 18.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.496 ' OH ' HD12 ' A' ' 29' ' ' ILE . 1.7 m-85 -53.73 153.79 4.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.7 t -88.62 166.87 13.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.67 -17.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -100.77 -62.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 31' ' ' ASP . 46.7 tp -41.95 164.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.412 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 15.7 m -139.98 164.75 29.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.671 HG23 ' HD2' ' A' ' 30' ' ' ARG . 4.5 tp -54.02 -35.07 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.671 ' HD2' HG23 ' A' ' 29' ' ' ILE . 6.5 mpt_? -67.44 -67.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.473 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 44.4 m-20 -38.79 -30.49 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 30' ' ' ARG . 82.8 t60 -77.46 -70.12 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.827 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.525 HG23 ' O ' ' A' ' 29' ' ' ILE . 16.2 pt -50.81 -18.96 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -90.95 24.93 2.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 36' ' ' LYS . 43.2 m -138.77 130.2 27.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 35' ' ' SER . 16.5 tttp -33.54 -43.32 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -39.6 -56.43 1.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.515 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 26.6 t60 -67.62 -57.64 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.607 ' H ' HD12 ' A' ' 39' ' ' ILE . 4.1 mp -37.75 -45.63 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 t -48.58 -58.1 5.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -55.44 -38.59 69.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.9 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.904 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.23 0.101 0 CA-C-O 120.728 0.22 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -138.58 170.83 15.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.468 ' HB2' ' HH ' ' A' ' 23' ' ' TYR . 1.8 t -129.17 73.55 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -44.69 -23.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.3 tp -71.85 -48.07 48.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.401 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.5 m -102.41 5.18 39.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 58.81 15.73 28.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 19' ' ' CYS . 60.5 t -96.33 121.82 47.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.917 0.389 . . . . 0.0 111.156 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.99 101.74 13.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.468 ' HH ' ' HB2' ' A' ' 16' ' ' CYS . 1.2 m-85 -52.98 164.45 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 26' ' ' ARG . 20.4 t -102.99 158.19 16.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -37.37 -28.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.072 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 24' ' ' SER . 22.5 tpt180 -87.62 -68.45 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 26' ' ' ARG . 30.1 tp -38.98 159.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -136.17 149.83 48.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 30' ' ' ARG . 3.7 tp -41.41 -43.06 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.142 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' HIS . 63.1 mtt180 -63.16 -68.92 0.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -38.68 -28.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.46 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 73.9 t60 -77.12 -70.04 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.602 HG22 ' CE1' ' A' ' 38' ' ' HIS . 21.9 pt -45.72 -23.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -87.06 28.25 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 36' ' ' LYS . 69.5 m -131.95 129.28 40.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 35' ' ' SER . 19.8 tttt -35.49 -45.49 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -41.91 -52.52 4.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.602 ' CE1' HG22 ' A' ' 33' ' ' ILE . 17.6 t60 -74.17 -44.66 52.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.4 mm -43.48 -58.66 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -48.22 -50.85 27.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -55.45 -33.68 63.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.456 ' CG2' ' CD2' ' A' ' 38' ' ' HIS . 62.2 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 N--CA 1.466 -0.113 0 CA-C-O 120.711 0.213 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -147.25 166.16 27.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.4 t -123.86 78.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.7 t -51.78 -16.77 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 tp -78.69 -48.02 15.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.4 m -101.47 5.0 41.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 60.79 18.69 53.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.7 t -99.8 113.8 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.22 102.16 14.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.402 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 0.4 OUTLIER -54.84 164.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.0 t -99.58 174.56 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.19 -17.38 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.069 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -98.58 -60.96 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.435 ' CD1' ' HB2' ' A' ' 31' ' ' ASP . 35.3 tp -45.34 154.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' ILE . 19.8 m -132.31 148.25 52.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 30' ' ' ARG . 5.4 tp -36.87 -45.65 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.477 ' N ' HG23 ' A' ' 29' ' ' ILE . 0.7 OUTLIER -57.13 -68.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.435 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 77.8 m-20 -35.98 -40.81 0.21 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.402 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 86.4 t60 -67.32 -70.66 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.535 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 18.4 pt -49.61 -23.19 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -88.15 29.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 36' ' ' LYS . 51.7 m -136.18 127.55 28.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -34.14 -51.03 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 48.6 mm-40 -37.11 -54.02 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.535 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 8.9 t60 -72.98 -36.1 67.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.1 mm -51.07 -54.36 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 t -48.79 -43.05 37.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -63.64 -37.14 86.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.47 ' CG2' ' NE2' ' A' ' 38' ' ' HIS . 61.1 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -133.91 144.63 48.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.85 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -89.67 -49.28 6.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.84 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.83 147.12 7.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.0 p -116.57 171.65 7.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -112.89 135.23 53.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.76 50.32 0.85 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 164.89 117.65 0.41 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.446 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.0 p -99.07 148.69 23.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 111.143 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -145.4 130.34 18.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.56 70.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 p -92.16 37.51 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.371 . . . . 0.0 111.189 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -41.77 144.73 0.77 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.528 0.68 . . . . 0.0 110.891 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 92.59 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.636 2.224 . . . . 0.0 112.325 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -144.65 169.17 18.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -122.21 73.04 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 t -41.04 -27.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 tp -70.01 -48.26 58.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.622 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.2 m -103.5 7.6 37.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 49.09 29.04 8.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.448 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 19' ' ' CYS . 82.4 t -105.86 84.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 111.167 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 109.03 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 2.0 m-85 -59.74 145.99 43.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 26' ' ' ARG . 58.3 m -81.59 149.33 28.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.96 -32.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.065 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.6 tpm_? -84.09 -59.83 2.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 28' ' ' SER . 44.1 tp -44.77 167.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.439 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 15.9 m -142.34 158.06 44.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.6 tp -50.33 -40.6 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.609 ' HD3' HD11 ' A' ' 33' ' ' ILE . 14.9 mmt85 -62.91 -59.99 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -45.87 -35.36 4.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.4 ' CD2' ' HE1' ' A' ' 23' ' ' TYR . 84.2 t60 -71.91 -69.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.609 HD11 ' HD3' ' A' ' 30' ' ' ARG . 44.9 pt -47.79 -22.58 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -93.25 33.83 1.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.478 ' O ' HD12 ' A' ' 39' ' ' ILE . 2.8 m -144.45 131.15 20.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -34.38 -44.5 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -40.22 -50.61 2.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.514 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 20.7 t60 -75.29 -59.46 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.653 ' H ' HD12 ' A' ' 39' ' ' ILE . 4.7 mp -38.73 -56.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 t -40.73 -55.94 2.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -56.06 -36.56 68.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.7 t -72.13 -25.15 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -84.12 -32.24 24.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 45' ' ' THR . 17.7 mm-40 -86.65 -53.18 5.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 44' ' ' GLU . 14.6 t -34.09 -38.31 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.192 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 47' ' ' GLY . 4.0 p -112.7 -48.81 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.494 ' N ' HG13 ' A' ' 46' ' ' VAL . . . 120.21 153.9 9.28 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.9 t -100.73 -42.75 6.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.882 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -45.55 134.85 6.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.6 pp -72.55 167.15 21.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 p-10 -85.56 153.42 22.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -44.27 -67.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -101.58 131.12 47.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -89.29 150.16 22.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.6 t0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.91 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 p -167.68 145.8 4.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.829 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.7 t -120.57 -55.37 2.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.27 80.62 1.06 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 m -56.25 -51.12 69.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.84 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.7 m 46.0 39.25 5.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.33 117.73 3.43 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.39 171.83 20.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 9' ' ' THR . 8.9 t -105.0 126.03 51.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 111.165 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -99.59 90.73 4.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -138.67 161.67 25.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.4 p -133.67 148.62 51.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 111.146 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -135.57 148.63 66.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 92.62 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -144.14 170.4 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -122.9 79.62 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 t -48.39 -22.11 0.65 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 tp -75.45 -45.8 36.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.506 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.3 m -103.02 5.84 38.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 55.92 19.84 23.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.517 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 19' ' ' CYS . 41.4 t -101.15 119.35 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 111.164 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -91.78 108.36 19.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.526 ' OH ' HD12 ' A' ' 29' ' ' ILE . 1.7 m-85 -58.38 154.5 13.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 26' ' ' ARG . 80.2 p -88.64 151.85 22.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.75 -32.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' SER . 44.1 ttp180 -84.94 -57.87 2.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.1 tp -46.99 159.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.8 m -135.79 154.04 51.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.526 HD12 ' OH ' ' A' ' 23' ' ' TYR . 6.1 tp -44.6 -44.94 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.493 ' N ' HG23 ' A' ' 29' ' ' ILE . 35.5 mtm180 -62.7 -66.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -39.95 -26.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' ARG . 78.6 t60 -79.37 -64.1 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.509 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 13.9 pt -54.7 -17.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -90.95 25.88 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.4 m -131.32 133.91 45.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.82 -45.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -41.91 -57.44 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.509 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 14.1 t60 -69.38 -41.31 76.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.9 mm -46.33 -54.53 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.3 t -45.43 -57.69 3.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -50.5 -42.58 54.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.475 ' CG2' ' NE2' ' A' ' 38' ' ' HIS . 61.6 t -65.86 -25.49 36.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.073 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 75.7 mmt-85 -85.04 -36.06 21.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' THR . 63.0 mm-40 -74.44 -53.7 9.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' GLU . 11.0 t -37.23 -37.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.54 124.79 67.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 48' ' ' SER . . . -127.66 46.54 1.07 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.483 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' GLY . 15.2 t -34.75 124.22 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 110.866 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -100.05 110.76 23.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.15 139.79 54.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 52' ' ' ARG . 69.2 m-20 -112.15 177.71 4.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 51' ' ' ASP . 5.9 ttm105 -35.03 114.27 0.23 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -124.24 149.18 46.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -128.3 99.87 5.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.889 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.531 -0.227 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -104.35 152.11 22.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.913 0.387 . . . . 0.0 110.87 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.6 p -82.5 164.44 20.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.844 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.13 76.13 0.12 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 m -153.43 168.52 25.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.862 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -127.51 83.21 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.21 -177.6 48.25 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.67 179.68 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.2 p -143.66 148.21 35.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.818 0.342 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.12 143.52 52.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 131.53 70.99 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.528 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.0 p -97.38 82.05 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 111.148 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.3 mmtt -110.76 158.85 34.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.553 0.692 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 92.61 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.639 2.226 . . . . 0.0 112.34 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -136.06 175.59 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -126.55 85.82 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 t -53.8 -19.35 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 tp -79.36 -44.59 21.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.595 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.4 m -103.62 7.38 37.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 52.55 22.83 12.02 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 19' ' ' CYS . 60.3 t -104.25 113.06 40.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.923 0.392 . . . . 0.0 111.124 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -88.68 103.63 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.578 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 1.4 m-85 -54.29 151.74 7.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 25' ' ' ALA . 16.4 p -87.46 158.37 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.03 -47.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 27' ' ' LEU . 20.9 tpp180 -72.44 -68.47 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 23' ' ' TYR . 32.5 tp -34.31 146.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 29' ' ' ILE . 15.3 m -125.44 146.07 49.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.419 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 4.8 tp -37.57 -38.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -66.16 -61.61 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -44.63 -26.22 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.578 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 76.7 t60 -80.99 -70.07 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.524 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 17.7 pt -44.07 -22.7 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -91.95 33.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.447 ' HB3' ' NE2' ' A' ' 37' ' ' GLN . 69.8 m -134.4 130.35 36.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' SER . 1.2 tmtp? -34.64 -51.26 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.447 ' NE2' ' HB3' ' A' ' 35' ' ' SER . 1.3 mp0 -38.87 -54.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.68 ' O ' HG23 ' A' ' 42' ' ' VAL . 17.4 t60 -74.96 -38.4 61.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 44.7 mm -50.11 -57.35 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -50.92 -54.13 26.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -50.72 -42.14 56.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 38' ' ' HIS . 59.2 t -62.67 -41.5 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -68.02 -35.75 78.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -63.81 -60.74 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.471 HG23 HG12 ' A' ' 46' ' ' VAL . 9.7 t -52.84 -43.35 65.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.471 HG12 HG23 ' A' ' 45' ' ' THR . 10.9 p -137.67 133.06 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.19 -178.85 18.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.7 m -112.43 83.38 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.339 . . . . 0.0 110.822 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -82.45 -58.36 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.17 13.63 7.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -107.91 119.9 40.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.29 158.3 44.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -146.12 123.8 11.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -120.73 111.84 18.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.5 p -125.72 145.79 50.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.809 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 m -82.82 163.88 20.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.02 120.1 6.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -120.58 151.98 38.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.386 . . . . 0.0 110.839 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -70.9 131.63 44.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.92 160.69 5.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.64 -79.33 0.22 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.449 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 9' ' ' THR . 13.0 t -50.22 127.05 16.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.349 . . . . 0.0 111.132 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -124.63 162.1 24.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -44.85 134.79 7.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.658 ' O ' HG23 ' A' ' 12' ' ' THR . 9.9 t -84.49 94.04 8.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 111.165 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -150.22 154.7 36.66 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.585 0.707 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 92.61 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -147.7 175.07 11.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -125.9 85.88 2.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -53.51 -16.82 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.163 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.1 tp -82.94 -44.3 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.626 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.3 m -105.03 9.63 34.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 48.5 30.8 8.67 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 19' ' ' CYS . 93.8 t -109.39 100.86 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -78.4 103.95 8.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.485 ' OH ' HD12 ' A' ' 29' ' ' ILE . 1.4 m-85 -52.88 152.76 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 26' ' ' ARG . 51.7 p -83.26 150.4 26.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -35.29 -31.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' SER . 55.6 ttm-85 -87.2 -55.44 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 31' ' ' ASP . 31.9 tp -43.97 167.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.7 m -143.59 151.61 40.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 30' ' ' ARG . 4.4 tp -40.36 -46.65 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.497 ' N ' HG23 ' A' ' 29' ' ' ILE . 50.8 mtt180 -58.74 -69.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.46 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 75.0 m-20 -34.56 -36.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' ARG . 75.9 t60 -69.45 -69.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.504 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 16.2 pt -52.15 -18.0 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -88.38 25.53 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' LYS . 2.2 m -139.41 131.05 27.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -35.91 -41.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.889 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -40.86 -53.52 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.504 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 28.0 t60 -68.61 -57.36 5.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.519 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.2 mp -37.66 -56.19 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.0 t -40.81 -59.08 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -52.29 -41.47 62.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.31 -44.88 99.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -64.3 -32.77 74.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -64.57 -59.46 4.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.701 HG23 HG12 ' A' ' 46' ' ' VAL . 6.6 t -52.96 -44.72 67.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.701 HG12 HG23 ' A' ' 45' ' ' THR . 5.7 p -140.01 135.23 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -129.84 179.76 16.58 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 m -69.15 104.24 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 110.863 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -53.74 -43.09 68.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.7 tt -63.05 95.91 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -92.61 -25.61 18.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -41.96 125.22 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -83.62 141.87 31.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -142.23 148.02 37.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.853 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 m -53.82 -48.3 70.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.847 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -72.5 153.22 41.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.04 120.39 6.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.0 p -106.86 -45.68 4.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 t -44.4 150.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.53 157.5 7.29 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.25 106.2 0.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.414 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 m -64.17 121.46 14.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.763 0.316 . . . . 0.0 111.195 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.78 121.58 8.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.3 112.65 0.76 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.0 p -130.9 -31.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 0.0 111.166 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -87.65 154.41 53.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 92.48 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.735 2.29 . . . . 0.0 112.342 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -133.45 179.56 6.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.499 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 2.0 t -126.49 84.82 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.0 t -53.08 -16.03 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 tp -80.99 -47.87 13.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.446 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.0 m -101.79 4.38 40.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 56.62 26.37 52.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 19' ' ' CYS . 60.0 t -107.75 115.01 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 111.134 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -86.34 105.25 16.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.538 ' HA ' HD23 ' A' ' 27' ' ' LEU . 1.5 m-85 -54.34 138.0 40.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ALA . 64.9 p -74.92 153.04 38.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.56 -38.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -79.39 -62.65 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 23' ' ' TYR . 39.4 tp -39.9 160.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.7 m -137.76 165.37 26.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 30' ' ' ARG . 3.6 tp -54.31 -43.67 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.433 ' N ' HG23 ' A' ' 29' ' ' ILE . 58.1 mtt180 -62.87 -62.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -42.65 -35.58 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.435 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 83.0 t60 -70.91 -69.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.499 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 27.4 pt -47.3 -22.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -90.7 32.22 0.99 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.838 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' LYS . 32.0 m -136.55 128.11 28.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -35.93 -51.51 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -38.56 -47.61 1.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.538 ' O ' HG23 ' A' ' 42' ' ' VAL . 12.9 t60 -80.59 -37.02 32.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.2 mm -52.86 -57.59 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.078 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 t -40.63 -53.36 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -58.68 -36.69 74.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 38' ' ' HIS . 57.9 t -71.81 -29.59 34.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.084 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.1 mmt-85 -85.41 -26.6 26.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -76.12 -33.41 59.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.448 HG23 HG12 ' A' ' 46' ' ' VAL . 9.5 t -72.82 -43.77 62.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 47' ' ' GLY . 6.8 p -127.91 -50.71 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.56 ' N ' HG13 ' A' ' 46' ' ' VAL . . . 97.99 -150.48 19.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.3 p -95.51 98.9 10.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 0.0 110.861 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.409 ' HG3' ' CG2' ' A' ' 46' ' ' VAL . 38.3 mm-40 -106.53 121.64 44.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.2 mt -94.9 120.9 35.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.22 41.6 3.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -98.91 102.58 14.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -70.17 84.96 0.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -61.48 128.77 37.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.879 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -107.34 -59.2 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.859 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.4 p -48.84 126.46 12.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.24 63.24 0.32 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -51.56 110.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.361 . . . . 0.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -95.34 152.14 18.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.69 89.44 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.01 124.99 3.71 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 m -100.87 123.23 44.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.798 0.333 . . . . 0.0 111.137 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -110.09 160.43 16.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -161.54 160.16 31.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.457 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.6 p -101.31 87.26 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 111.144 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -106.62 143.9 27.94 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.576 0.703 . . . . 0.0 110.922 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 92.6 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.388 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -141.38 161.58 37.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -121.86 83.62 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 t -53.4 -16.07 1.27 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.7 tp -81.49 -46.32 14.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.546 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.8 m -102.77 6.21 39.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 53.32 26.3 29.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.531 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 19' ' ' CYS . 45.2 t -106.64 110.95 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.381 . . . . 0.0 111.102 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -90.49 103.43 16.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.648 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -57.05 139.07 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 26' ' ' ARG . 20.4 t -79.6 153.29 29.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.41 -32.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 24' ' ' SER . 46.9 ttp180 -77.72 -54.7 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.28 161.59 6.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.4 m -132.43 170.3 15.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.55 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 3.1 tp -59.96 -33.8 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' HIS . 54.1 mtm180 -70.97 -65.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -38.81 -26.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.648 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 86.4 t60 -81.11 -69.92 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.519 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 6.6 pt -50.41 -21.8 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -90.39 19.37 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.47 147.59 51.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -48.63 -44.13 37.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -39.78 -45.14 1.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.611 ' O ' HG23 ' A' ' 42' ' ' VAL . 21.0 t60 -83.17 -37.72 23.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.7 mm -53.03 -58.66 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.3 t -41.65 -57.29 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -52.44 -39.47 61.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 38' ' ' HIS . 59.2 t -66.64 -38.26 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.088 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -76.71 -19.91 57.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.813 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -83.73 -56.49 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.8 t -42.98 -35.59 1.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 46' ' ' VAL . 7.1 p -133.71 117.86 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -177.38 -44.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.6 p -100.95 168.25 9.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.52 ' C ' HD13 ' A' ' 50' ' ' LEU . 6.3 pm0 -48.95 160.49 0.19 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.859 ' N ' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -130.8 3.31 4.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.06 -18.63 53.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.5 mmt-85 -122.21 143.73 49.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -111.26 142.92 42.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -62.26 -51.69 66.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.0 m -121.79 86.8 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.924 0.392 . . . . 0.0 110.862 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 t -174.9 135.29 0.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.819 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.06 143.66 16.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 p -44.97 -44.17 9.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 p -89.94 150.84 21.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.99 83.83 0.12 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.37 -98.63 0.11 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.473 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.9 p -58.25 98.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.776 0.322 . . . . 0.0 111.153 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -58.76 -48.07 82.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 62.37 104.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.8 p -95.17 129.84 42.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 111.118 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -50.71 148.47 7.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.627 0.727 . . . . 0.0 110.83 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 92.52 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.683 2.255 . . . . 0.0 112.372 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -141.64 172.43 12.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.0 t -121.28 91.5 3.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -61.18 -9.97 5.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.2 tp -87.87 -44.74 10.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.1 m -102.81 3.65 36.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 59.17 23.64 57.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.627 HG21 ' NE2' ' A' ' 37' ' ' GLN . 46.6 t -105.7 115.77 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.371 . . . . 0.0 111.123 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.2 tttt -91.72 104.57 17.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.518 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 0.7 OUTLIER -55.45 146.55 19.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' ARG . 3.4 m -88.41 153.79 20.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.07 -34.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 24' ' ' SER . 62.0 ttt180 -79.87 -55.36 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 23' ' ' TYR . 37.7 tp -56.01 166.45 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.414 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 14.5 m -146.21 156.98 43.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.512 ' HA ' ' CE2' ' A' ' 23' ' ' TYR . 5.1 tp -42.69 -46.8 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.176 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.48 ' N ' HG23 ' A' ' 29' ' ' ILE . 63.5 mtm-85 -57.83 -73.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' ARG . 1.6 m-20 -34.95 -34.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.518 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 81.3 t60 -71.5 -69.96 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.578 HG22 ' CE1' ' A' ' 38' ' ' HIS . 31.6 pt -48.81 -21.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -88.57 28.26 1.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.3 m -132.79 132.97 42.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -40.06 -50.74 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.627 ' NE2' HG21 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -37.99 -50.39 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.928 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.578 ' CE1' HG22 ' A' ' 33' ' ' ILE . 10.6 t60 -75.38 -45.63 37.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.7 mm -42.59 -59.18 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -47.84 -51.03 24.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -52.0 -35.96 48.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.6 t -73.42 -33.92 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.0 mtp-105 -78.53 -21.35 48.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -92.85 -48.92 6.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 t -40.37 -32.01 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 p -114.13 -39.59 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -99.44 90.62 0.98 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.1 p -118.34 152.36 35.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -101.4 89.1 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 51' ' ' ASP . 2.2 pp -132.95 170.77 14.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.59 ' N ' HD12 ' A' ' 50' ' ' LEU . 50.7 m-20 -91.76 97.89 11.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -100.3 119.6 38.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -52.23 126.24 18.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -101.86 105.18 15.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.819 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -133.44 158.68 42.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.7 p -166.02 167.86 16.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.68 52.28 0.58 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -110.72 99.15 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.844 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 t -173.68 141.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.26 -111.56 0.3 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.15 140.37 3.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.437 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.77 108.2 12.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.332 . . . . 0.0 111.142 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -134.87 168.7 18.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 145.61 165.17 11.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.52 ' O ' HG23 ' A' ' 12' ' ' THR . 4.3 t -83.66 82.06 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 111.17 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -108.48 146.14 33.04 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.574 0.702 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 92.53 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -141.44 160.73 39.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.8 t -106.14 93.76 4.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 t -62.51 -12.0 19.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 tp -88.75 -39.76 13.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.665 ' O ' HG23 ' A' ' 21' ' ' VAL . 9.2 m -109.89 10.77 24.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 48.22 29.69 7.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 19' ' ' CYS . 97.4 t -108.53 104.97 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.389 . . . . 0.0 111.168 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -78.93 102.48 8.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.543 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.4 m-85 -54.48 130.82 41.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' ARG . 26.3 m -64.43 156.26 29.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.27 -24.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.3 tmt_? -93.13 -57.24 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 23' ' ' TYR . 24.7 tp -44.89 157.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.4 m -134.65 153.56 51.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.5 tp -44.98 -39.49 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 31' ' ' ASP . 47.5 mtt85 -62.65 -72.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 30' ' ' ARG . 39.3 m-20 -36.11 -37.26 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -68.57 -69.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.525 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 34.6 pt -48.91 -19.99 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -93.86 30.34 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 36' ' ' LYS . 62.5 m -135.23 127.63 30.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.815 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' SER . 2.2 ttpp -34.38 -52.79 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 20.8 mm-40 -37.2 -52.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 9.2 t60 -75.75 -36.43 59.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.6 mm -50.93 -52.44 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t -46.34 -58.06 4.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.2 tptt -50.23 -44.57 53.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 38' ' ' HIS . 61.8 t -61.26 -29.28 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -82.19 -26.22 33.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' THR . 17.6 mt-10 -84.64 -56.96 3.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 46' ' ' VAL . 5.8 t -34.48 -43.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.469 ' N ' HG23 ' A' ' 45' ' ' THR . 5.6 p -99.89 -43.14 10.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.418 ' N ' HG13 ' A' ' 46' ' ' VAL . . . 71.35 140.97 0.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.509 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 t -132.65 85.54 2.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.342 . . . . 0.0 110.788 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -86.79 106.06 17.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.488 HD12 ' N ' ' A' ' 51' ' ' ASP . 3.2 tp -107.6 111.86 24.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.488 ' N ' HD12 ' A' ' 50' ' ' LEU . 5.4 p-10 -63.77 99.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -124.97 146.26 49.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -38.6 98.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -79.88 142.32 35.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 t70 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.849 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m 50.44 42.01 25.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m 56.6 42.31 27.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.93 103.76 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 p -121.47 -46.06 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -130.93 133.07 45.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.15 -171.2 12.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -139.78 40.66 1.39 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -89.04 36.49 0.82 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.733 0.302 . . . . 0.0 111.114 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.81 38.14 4.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.44 -60.07 2.92 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.6 p -72.65 74.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.088 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -157.82 145.06 13.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.549 0.69 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 92.55 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.641 2.227 . . . . 0.0 112.389 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -143.72 169.47 17.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.493 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.8 t -121.67 76.41 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -45.96 -21.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.2 tp -75.95 -48.05 22.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.548 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.5 m -102.45 5.81 39.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 52.43 26.83 23.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 19' ' ' CYS . 58.9 t -105.92 86.59 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.361 . . . . 0.0 111.151 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -63.76 105.72 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.493 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.8 m-85 -55.79 165.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 26' ' ' ARG . 3.9 p -102.0 156.56 17.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -38.12 -31.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 26' ' ' ARG . 11.6 ttm105 -83.89 -63.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.411 HD23 ' HB3' ' A' ' 23' ' ' TYR . 25.5 tp -40.77 162.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -138.12 144.01 40.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.425 HD12 ' OH ' ' A' ' 23' ' ' TYR . 4.0 tp -39.22 -40.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.104 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 31' ' ' ASP . 63.6 mtt85 -64.35 -70.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 30' ' ' ARG . 16.7 m-20 -34.67 -37.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -66.79 -70.03 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.525 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 40.6 pt -50.52 -22.55 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -88.34 27.55 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 36' ' ' LYS . 20.1 m -139.14 129.77 25.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.7 OUTLIER -34.42 -37.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -44.8 -51.27 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 33.4 t60 -71.41 -53.69 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.621 ' H ' HD12 ' A' ' 39' ' ' ILE . 4.4 mp -43.08 -48.98 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.5 t -46.17 -49.67 16.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -63.7 -35.82 81.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.34 -27.53 37.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -82.26 -37.54 25.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 46' ' ' VAL . 4.5 mm-40 -78.26 -53.45 7.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 44' ' ' GLU . 5.3 t -34.7 -32.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' GLU . 1.8 p -118.75 111.49 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.173 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.54 165.23 5.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.531 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 49' ' ' GLN . 17.1 m -145.6 174.58 11.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.87 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' SER . 33.6 tp60 -36.74 98.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.91 148.62 50.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -128.44 -29.54 2.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -121.63 -35.8 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -62.2 160.67 12.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -103.76 -53.99 2.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.855 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 m -55.59 127.03 27.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.829 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 t -153.78 112.13 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.31 99.54 0.18 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -105.82 84.9 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.843 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -125.24 88.92 2.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.827 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.24 83.56 0.13 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.44 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.52 -38.52 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 9' ' ' THR . 13.8 m -82.81 39.71 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 111.161 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -126.13 112.51 15.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.85 161.48 35.02 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.9 p -74.14 81.73 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 111.165 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -69.68 150.82 96.66 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.534 0.683 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 92.53 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.699 2.266 . . . . 0.0 112.394 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -145.02 164.05 32.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -122.87 71.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -39.77 -27.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.734 HD11 HG21 ' A' ' 45' ' ' THR . 9.8 tp -70.26 -46.67 63.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.513 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.3 m -101.91 4.67 40.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 55.14 21.82 26.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 19' ' ' CYS . 41.4 t -102.42 119.06 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 102.3 14.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.483 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 1.1 m-85 -52.68 160.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 26' ' ' ARG . 30.0 p -90.05 154.59 19.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -38.57 -26.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 24' ' ' SER . 4.0 tpm_? -91.06 -61.63 1.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.2 tp -40.11 155.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 m -128.13 156.39 42.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 tp -48.49 -38.27 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -66.25 -64.53 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -39.51 -32.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.483 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 78.3 t60 -73.57 -70.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.606 HG22 ' CE1' ' A' ' 38' ' ' HIS . 16.3 pt -48.42 -19.88 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -92.74 31.27 1.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.509 ' O ' HD12 ' A' ' 39' ' ' ILE . 16.7 m -138.52 130.44 28.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' SER . 2.1 ttpp -35.63 -51.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' LYS . 11.6 mm100 -37.14 -46.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.606 ' CE1' HG22 ' A' ' 33' ' ' ILE . 21.9 t60 -76.69 -60.54 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.733 ' H ' HD12 ' A' ' 39' ' ' ILE . 4.5 mp -38.29 -48.14 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.8 t -48.5 -50.29 32.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' O ' HG23 ' A' ' 45' ' ' THR . 15.2 tptt -60.62 -40.19 90.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.02 -49.46 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -56.87 -49.24 76.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.41 -57.97 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.734 HG21 HD11 ' A' ' 18' ' ' LEU . 24.2 p -43.73 -51.86 6.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 46' ' ' VAL . 11.3 p -125.15 124.84 68.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -161.79 107.48 0.31 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.3 t -73.91 109.47 7.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.785 0.326 . . . . 0.0 110.848 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -83.32 91.97 7.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' ASP . 80.6 mt -116.95 -44.24 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' LEU . 8.0 t0 -34.91 116.71 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -52.87 144.1 15.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -88.64 105.16 17.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 55' ' ' ASP . 1.9 mmpt? -93.1 -67.3 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 54' ' ' LYS . 8.7 t70 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -152.78 151.86 30.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 t -173.7 168.6 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.03 -164.19 12.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -125.06 134.93 52.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 110.834 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -105.57 114.51 28.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.61 -166.78 34.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 169.05 -168.91 41.55 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.2 t -94.89 146.43 24.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.759 0.314 . . . . 0.0 111.179 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -85.62 114.0 22.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.11 142.71 21.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.5 p -95.51 92.91 6.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.371 . . . . 0.0 111.148 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.461 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 15.9 ttmm -89.29 140.62 28.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 13' ' ' LYS . 54.1 Cg_endo -69.7 92.47 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -142.55 174.51 10.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.8 t -126.25 86.95 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 t -57.88 -13.0 3.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.6 tp -83.78 -47.53 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 m -102.12 4.58 39.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 57.68 24.56 53.51 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.8 t -104.35 108.53 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -83.67 105.06 14.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.556 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -56.1 145.06 26.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 26' ' ' ARG . 1.4 t -80.91 154.91 26.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -35.99 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 24' ' ' SER . 75.5 ttt180 -89.78 -64.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD23 ' HA ' ' A' ' 23' ' ' TYR . 44.8 tp -35.89 149.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -127.59 144.62 51.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.475 HG23 ' N ' ' A' ' 30' ' ' ARG . 4.9 tp -39.05 -46.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.19 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.475 ' N ' HG23 ' A' ' 29' ' ' ILE . 16.2 mtp180 -54.32 -65.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -43.86 -35.18 1.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -72.74 -69.84 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.536 HG22 ' CE1' ' A' ' 38' ' ' HIS . 28.1 pt -46.73 -25.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -86.94 29.66 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.483 ' O ' HD12 ' A' ' 39' ' ' ILE . 73.7 m -133.29 129.55 37.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.4 OUTLIER -34.78 -51.85 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 38' ' ' HIS . 19.0 pt20 -37.37 -47.55 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.536 ' CE1' HG22 ' A' ' 33' ' ' ILE . 22.5 t60 -74.24 -59.02 2.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.63 ' H ' HD12 ' A' ' 39' ' ' ILE . 4.2 mp -39.43 -55.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.1 t -40.99 -54.13 2.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -56.44 -43.63 79.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.7 t -62.03 -33.51 58.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.137 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -77.18 -23.73 51.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -81.0 -55.83 4.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.438 HG23 HG12 ' A' ' 46' ' ' VAL . 14.7 t -48.23 -37.66 16.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.438 HG12 HG23 ' A' ' 45' ' ' THR . 3.4 p -132.53 129.69 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.91 38.72 0.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.7 t -145.45 110.55 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.854 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -90.27 51.88 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.5 tp -113.03 -48.49 2.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.01 156.69 38.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.9 mtm-85 -131.16 101.21 5.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -101.76 78.39 1.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -128.46 83.09 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.868 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 t -43.43 110.25 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 110.829 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.9 p -141.87 128.33 20.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.24 164.18 24.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 p -75.66 117.72 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.7 p -102.15 121.84 42.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.86 155.25 42.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.46 -45.64 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.9 m -58.19 142.35 47.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.333 . . . . 0.0 111.142 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -83.12 95.49 8.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.65 -100.98 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.534 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.4 p -113.93 143.41 44.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.153 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 7.8 ttmm -81.86 140.64 47.04 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.542 0.687 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 13' ' ' LYS . 54.0 Cg_endo -69.74 92.56 0.51 Allowed 'Trans proline' 0 N--CA 1.466 -0.128 0 C-N-CA 122.713 2.276 . . . . 0.0 112.341 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -152.92 169.69 22.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.458 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 1.8 t -126.21 87.66 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 t -58.65 -13.51 6.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 tp -83.95 -46.63 11.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.464 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.8 m -101.29 3.66 40.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 56.69 26.15 52.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.474 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 19' ' ' CYS . 43.4 t -107.8 101.14 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 111.139 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -77.77 102.09 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.458 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.3 m-85 -52.32 158.39 1.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' ALA . 48.4 t -94.91 150.58 20.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.1 -37.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.066 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' SER . 61.0 ttt180 -75.88 -56.24 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 28' ' ' SER . 46.6 tp -52.9 165.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.433 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 58.6 m -140.88 152.7 45.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.791 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 30' ' ' ARG . 4.0 tp -45.47 -44.24 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.467 ' N ' HG23 ' A' ' 29' ' ' ILE . 5.6 mmt85 -59.49 -62.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.35 -37.63 1.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.425 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 85.4 t60 -67.87 -69.84 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.518 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 38.9 pt -47.04 -22.69 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -93.18 33.04 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 36' ' ' LYS . 55.8 m -137.26 127.19 25.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -34.4 -49.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -40.1 -56.37 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.518 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 10.1 t60 -69.65 -43.31 72.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.6 mm -44.84 -55.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.1 t -47.22 -56.11 7.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -49.61 -36.87 25.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.2 t -71.65 -30.78 39.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 mtp180 -80.93 -27.9 35.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' VAL . 4.4 mm-40 -87.1 -50.99 6.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' GLU . 4.3 t -36.67 -32.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 44' ' ' GLU . 6.9 p -116.88 -37.93 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.12 69.6 3.23 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.4 p -115.49 -46.24 2.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.848 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -57.26 97.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.517 HD23 ' N ' ' A' ' 51' ' ' ASP . 3.2 tt -46.89 132.42 11.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.517 ' N ' HD23 ' A' ' 50' ' ' LEU . 37.9 t0 -104.82 140.16 38.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.472 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -124.75 163.39 22.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.414 ' OE2' ' C ' ' A' ' 52' ' ' ARG . 2.0 mp0 -132.87 176.79 8.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.98 126.28 26.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t 59.83 42.0 17.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.855 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -143.27 152.33 41.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.52 172.77 27.84 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -88.71 -45.75 9.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 p 44.45 42.36 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.39 -161.91 20.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.5 114.34 1.84 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.1 m -103.58 106.71 17.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 111.14 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.0 44.96 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.8 165.87 28.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.5 t -116.12 134.57 54.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.191 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -133.17 154.55 81.23 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.614 0.721 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 92.6 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -142.42 178.29 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -130.33 83.72 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -52.06 -16.26 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.7 tp -82.66 -46.11 13.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.522 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.2 m -101.5 4.22 40.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 54.75 26.65 40.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 19' ' ' CYS . 59.7 t -108.09 106.71 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -83.53 108.39 16.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.533 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 1.0 OUTLIER -60.05 156.91 13.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 25' ' ' ALA . 11.0 t -95.0 155.6 16.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.04 -38.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 24' ' ' SER . 29.1 ttt180 -78.2 -63.83 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 23' ' ' TYR . 28.9 tp -41.16 159.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.8 m -139.55 155.06 47.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.83 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.428 HG23 ' N ' ' A' ' 30' ' ' ARG . 3.4 tp -43.59 -43.18 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.428 ' N ' HG23 ' A' ' 29' ' ' ILE . 7.4 mmt180 -60.9 -65.08 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -40.5 -41.17 1.38 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.533 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 78.0 t60 -65.05 -70.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.529 HG22 ' CE1' ' A' ' 38' ' ' HIS . 40.9 pt -48.23 -25.95 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -86.22 30.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' LYS . 9.0 m -137.44 127.36 25.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HA ' HD13 ' A' ' 39' ' ' ILE . 1.7 ttpt -34.6 -51.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' LYS . 59.5 mt-30 -37.15 -50.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.529 ' CE1' HG22 ' A' ' 33' ' ' ILE . 23.2 t60 -67.91 -53.69 24.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.523 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.6 mp -43.03 -55.99 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 t -42.21 -42.45 3.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -70.0 -34.71 73.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 39' ' ' ILE . 95.5 t -68.32 -30.97 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -80.92 -43.8 19.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 45' ' ' THR . 8.9 mm-40 -70.94 -52.95 16.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 44' ' ' GLU . 14.9 t -35.0 -37.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 46' ' ' VAL . 6.1 p -117.5 114.11 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.45 152.53 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 49' ' ' GLN . 70.6 m -130.7 179.56 5.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 48' ' ' SER . 63.3 mt-30 -34.64 100.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -92.62 175.46 6.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -107.25 175.1 5.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -44.09 -38.86 3.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' ARG . 4.8 tt0 -37.07 145.77 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -138.72 142.39 38.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 p30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.912 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -95.46 93.36 7.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 110.828 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 m -95.12 135.97 36.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.97 146.27 6.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.4 m -138.45 176.59 8.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 t -174.56 139.72 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.69 -177.77 26.71 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.99 41.82 6.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.0 m -79.63 111.61 16.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.811 0.339 . . . . 0.0 111.169 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -82.28 171.33 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.05 -177.1 47.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.503 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.5 p -130.53 165.75 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.867 0.365 . . . . 0.0 111.13 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -128.25 152.93 78.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.552 0.692 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 92.63 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.266 . . . . 0.0 112.351 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -140.05 175.19 9.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.456 ' HB2' ' CE1' ' A' ' 23' ' ' TYR . 2.7 t -125.78 83.16 2.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.3 t -52.74 -18.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.147 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.4 tp -77.84 -46.42 21.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.5 m -100.42 1.99 41.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 60.83 22.97 60.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.476 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.8 t -106.97 124.23 62.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.93 0.395 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -95.8 107.08 19.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 1.4 m-85 -54.95 141.38 33.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 26' ' ' ARG . 36.9 t -76.57 152.71 35.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.814 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -35.33 -31.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' SER . 20.9 ttm180 -87.65 -62.31 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 23' ' ' TYR . 45.5 tp -41.39 162.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.8 m -140.31 163.3 33.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 30' ' ' ARG . 5.8 tp -49.69 -42.73 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.436 ' N ' HG23 ' A' ' 29' ' ' ILE . 33.7 mtt-85 -60.69 -71.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' ARG . 7.1 m-20 -36.38 -34.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.417 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 86.6 t60 -70.53 -69.45 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.486 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 30.5 pt -49.09 -19.56 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -90.28 28.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 36' ' ' LYS . 73.2 m -132.94 129.22 37.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.812 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 35' ' ' SER . 23.1 tptm -35.74 -48.79 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -39.53 -52.93 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.486 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 11.4 t60 -75.92 -41.35 52.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.8 mm -46.88 -58.77 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -48.07 -53.96 14.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -49.89 -35.96 25.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 38' ' ' HIS . 65.0 t -68.94 -39.94 80.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -71.67 -44.46 64.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -53.53 -50.97 64.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.771 HG23 HG12 ' A' ' 46' ' ' VAL . 7.3 t -62.28 -44.46 96.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.771 HG12 HG23 ' A' ' 45' ' ' THR . 4.5 p -144.29 134.14 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.94 -130.04 3.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.6 t -68.93 167.77 15.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.352 . . . . 0.0 110.87 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -112.92 84.87 2.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.82 152.2 43.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -83.88 46.86 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -84.27 137.48 33.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -108.2 81.43 1.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -90.36 148.13 23.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.863 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 t -164.94 144.59 7.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.377 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -56.1 -55.71 29.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.08 -152.54 24.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.534 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -157.05 122.61 4.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.829 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -127.68 146.68 50.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.44 -88.25 1.74 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.37 78.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.5 m -102.0 102.72 13.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.745 0.307 . . . . 0.0 111.178 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -133.6 41.5 3.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.26 -94.86 1.54 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.0 p -146.82 123.0 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.351 . . . . 0.0 111.136 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -90.3 154.32 46.69 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.603 0.716 . . . . 0.0 110.882 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 92.72 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.71 2.273 . . . . 0.0 112.369 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -139.96 172.45 12.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.7 t -122.03 76.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.7 t -45.01 -23.79 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.192 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.4 tp -75.79 -45.61 35.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.683 ' O ' HG23 ' A' ' 21' ' ' VAL . 8.3 m -102.12 6.37 40.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 50.13 28.09 12.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 19' ' ' CYS . 52.6 t -110.5 96.38 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.43 108.25 4.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.463 ' CE1' ' HB2' ' A' ' 16' ' ' CYS . 2.0 m-85 -57.36 144.57 35.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 26' ' ' ARG . 97.4 p -79.85 154.9 28.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -40.41 -24.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' SER . 28.7 ttt180 -91.5 -51.64 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.9 tp -53.54 156.71 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 m -130.62 167.25 19.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 33' ' ' ILE . 5.8 tp -60.76 -30.14 46.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.152 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.6 mtm-85 -73.85 -65.38 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -40.85 -34.99 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -73.35 -70.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.826 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.525 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 17.8 pt -50.08 -23.51 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -87.13 26.31 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.656 ' O ' HD12 ' A' ' 39' ' ' ILE . 7.2 t -138.49 153.17 48.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' GLN . 1.6 tppp? -51.94 -46.65 64.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.408 ' CG ' ' N ' ' A' ' 38' ' ' HIS . 12.3 pt20 -37.19 -46.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 53.1 t60 -76.24 -57.26 3.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 35' ' ' SER . 3.1 mp -40.98 -57.72 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' ILE . 11.2 t -38.04 -57.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -56.57 -36.0 68.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.554 ' O ' HG22 ' A' ' 45' ' ' THR . 66.5 t -68.32 -31.03 49.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 47' ' ' GLY . 73.9 mtm180 -78.57 -31.23 47.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -81.73 -45.32 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 42' ' ' VAL . 6.0 t -44.68 -31.9 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 47' ' ' GLY . 5.5 p -119.42 -42.61 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 43.3 93.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.519 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.4 p -60.59 114.33 2.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -45.32 124.84 5.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.9 mt -89.62 165.42 14.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -75.54 147.15 39.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -45.12 131.43 7.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -123.37 -60.83 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -135.29 135.23 40.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 179.854 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.1 p -122.68 85.14 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 0.0 110.862 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 m -131.79 114.35 14.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.96 85.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 t -114.66 150.67 34.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.912 0.387 . . . . 0.0 110.832 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -63.81 168.49 4.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.37 47.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 168.8 43.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.4 t -109.29 -14.82 14.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.759 0.314 . . . . 0.0 111.124 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -109.02 137.31 47.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -124.46 -91.58 0.93 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.533 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 12' ' ' THR . 5.1 t -120.34 98.13 5.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 111.173 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.62 151.91 79.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.562 0.696 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 92.61 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.297 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -148.18 162.9 38.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.475 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -118.96 83.17 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -53.56 -15.76 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.497 HD11 HG21 ' A' ' 45' ' ' THR . 11.9 tp -81.76 -47.06 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.498 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.7 m -102.42 5.36 39.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 54.85 26.38 40.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 19' ' ' CYS . 54.4 t -106.59 107.41 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -84.51 112.15 20.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.559 ' HB3' HD23 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -64.92 159.38 22.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ALA . 2.0 p -93.73 153.06 18.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -34.13 -40.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.092 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -76.02 -57.2 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.559 HD23 ' HB3' ' A' ' 23' ' ' TYR . 28.3 tp -44.85 166.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.7 m -145.05 147.11 32.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 tp -39.4 -39.15 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' ASP . 53.7 mtm-85 -62.99 -67.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.431 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 14.5 m-20 -37.41 -39.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -66.87 -69.92 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.553 HG22 ' CE1' ' A' ' 38' ' ' HIS . 26.0 pt -50.37 -24.77 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -84.57 25.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 36' ' ' LYS . 56.4 m -136.73 128.33 28.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HA ' HD13 ' A' ' 39' ' ' ILE . 0.9 OUTLIER -34.43 -44.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -39.41 -53.37 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.553 ' CE1' HG22 ' A' ' 33' ' ' ILE . 22.6 t60 -67.08 -56.39 10.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.62 ' H ' HD12 ' A' ' 39' ' ' ILE . 4.2 mp -40.38 -59.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.5 t -38.58 -48.51 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -63.11 -39.56 95.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 39' ' ' ILE . 51.3 t -64.77 -28.89 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 47' ' ' GLY . 34.7 mtt-85 -82.41 -53.49 5.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -52.96 -29.86 31.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.497 HG21 HD11 ' A' ' 18' ' ' LEU . 1.3 p -71.06 -64.87 0.82 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 47' ' ' GLY . 4.1 p -117.06 -32.51 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 34.43 -104.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.455 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.8 t -100.99 147.45 26.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.847 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -83.54 117.63 23.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.787 HD13 ' NH2' ' A' ' 52' ' ' ARG . 1.5 tt -57.55 148.55 23.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.536 ' N ' HD23 ' A' ' 50' ' ' LEU . 34.9 m-20 -77.92 56.47 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.787 ' NH2' HD13 ' A' ' 50' ' ' LEU . 4.2 ptp180 -97.98 161.05 13.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -113.75 -56.78 2.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -86.27 149.38 25.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.868 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p -68.98 -53.37 21.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.34 . . . . 0.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 t -112.65 107.43 16.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.57 -61.93 1.22 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -47.21 -60.97 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.903 0.383 . . . . 0.0 110.807 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m -70.68 123.57 22.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.72 145.53 15.02 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.47 138.46 7.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.4 m -125.18 90.91 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.31 . . . . 0.0 111.147 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -147.17 165.38 30.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 165.08 92.14 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.512 ' O ' HG23 ' A' ' 12' ' ' THR . 6.1 t -93.66 111.23 22.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 111.18 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.87 152.54 56.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.617 0.723 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 92.86 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.362 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -145.7 170.13 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -124.9 77.06 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -47.82 -20.69 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.644 HD11 HG21 ' A' ' 45' ' ' THR . 8.7 tp -76.36 -47.89 21.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.524 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.6 m -102.71 6.54 39.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 53.37 24.37 22.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 19' ' ' CYS . 70.3 t -104.31 97.64 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 111.172 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -74.78 111.39 9.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.51 ' OH ' HD12 ' A' ' 29' ' ' ILE . 1.2 m-85 -63.35 167.57 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 26' ' ' ARG . 2.7 m -101.55 159.24 15.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -38.39 -30.93 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 27' ' ' LEU . 55.7 ttt180 -85.27 -69.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' ARG . 31.6 tp -37.11 155.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.3 m -131.97 148.84 52.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.51 HD12 ' OH ' ' A' ' 23' ' ' TYR . 3.5 tp -41.78 -35.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.156 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.8 mtt-85 -68.12 -60.42 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -45.4 -34.32 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 35' ' ' SER . 82.9 t60 -71.34 -70.02 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.54 HG22 ' CE1' ' A' ' 38' ' ' HIS . 47.7 pt -44.91 -25.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -87.74 24.16 1.81 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' HIS . 2.5 t -127.92 148.01 50.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -51.9 -52.77 47.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.447 ' HG3' ' N ' ' A' ' 38' ' ' HIS . 11.4 pt20 -36.95 -44.34 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.54 ' CE1' HG22 ' A' ' 33' ' ' ILE . 23.3 t60 -76.95 -47.25 21.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.5 mm -42.46 -61.84 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -42.48 -53.13 4.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -52.88 -44.0 66.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.403 ' CG2' ' NE2' ' A' ' 38' ' ' HIS . 60.4 t -62.39 -28.9 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -86.96 -31.64 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -74.11 -22.54 59.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.644 HG21 HD11 ' A' ' 18' ' ' LEU . 2.0 p -78.36 -51.79 9.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.32 -35.72 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.38 -159.91 0.43 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.6 m -145.61 -179.66 6.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 0.0 110.822 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -39.29 127.0 1.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.3 tp -133.44 137.02 45.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.99 108.47 20.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -91.02 96.11 10.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -99.96 -51.8 3.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -71.23 107.89 4.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 179.847 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.8 p -78.17 136.91 37.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.869 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m 64.59 41.57 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.26 -176.68 44.11 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p -144.44 173.67 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 110.828 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -153.52 131.23 11.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.96 130.4 6.09 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.07 76.37 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.445 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 57.8 p -82.83 102.77 11.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 111.164 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -116.69 -46.89 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -45.33 133.09 8.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.9 p -92.83 92.85 8.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.373 . . . . 0.0 111.145 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 14' ' ' PRO . 24.3 ttmt -98.94 139.34 20.96 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.569 0.7 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 13' ' ' LYS . 53.7 Cg_endo -69.81 93.86 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -145.74 165.57 28.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.9 t -117.25 97.67 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 t -69.87 -7.7 42.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.0 tp -90.44 -42.56 10.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.499 ' O ' HG23 ' A' ' 21' ' ' VAL . 4.0 m -104.41 7.38 35.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.26 18.6 29.04 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.449 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 19' ' ' CYS . 61.7 t -102.36 111.92 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -91.27 107.03 18.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.496 ' OH ' HD12 ' A' ' 29' ' ' ILE . 1.7 m-85 -53.73 153.79 4.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.7 t -88.62 166.87 13.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.67 -17.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -100.77 -62.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 31' ' ' ASP . 46.7 tp -41.95 164.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.412 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 15.7 m -139.98 164.75 29.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.671 HG23 ' HD2' ' A' ' 30' ' ' ARG . 4.5 tp -54.02 -35.07 27.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.671 ' HD2' HG23 ' A' ' 29' ' ' ILE . 6.5 mpt_? -67.44 -67.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.473 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 44.4 m-20 -38.79 -30.49 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 30' ' ' ARG . 82.8 t60 -77.46 -70.12 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.827 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.525 HG23 ' O ' ' A' ' 29' ' ' ILE . 16.2 pt -50.81 -18.96 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -90.95 24.93 2.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 36' ' ' LYS . 43.2 m -138.77 130.2 27.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 35' ' ' SER . 16.5 tttp -33.54 -43.32 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -39.6 -56.43 1.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.515 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 26.6 t60 -67.62 -57.64 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.607 ' H ' HD12 ' A' ' 39' ' ' ILE . 4.1 mp -37.75 -45.63 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.6 t -48.58 -58.1 5.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -55.44 -38.59 69.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.9 t -59.75 -33.47 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -80.88 -30.19 35.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -72.67 -55.34 6.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.463 HG23 HG12 ' A' ' 46' ' ' VAL . 6.9 t -39.04 -44.47 1.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.463 HG12 HG23 ' A' ' 45' ' ' THR . 4.8 p -123.61 116.45 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.43 163.39 9.42 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 49' ' ' GLN . 83.8 p -107.67 42.95 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' SER . 33.6 tp60 -35.1 126.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 tp -122.89 95.74 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.5 112.81 9.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 53' ' ' GLU . 4.7 ppt_? -94.88 -34.36 12.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.463 ' N ' ' HD2' ' A' ' 52' ' ' ARG . 15.4 mt-10 -59.57 156.52 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -112.99 146.03 39.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 t -130.79 147.84 52.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.0 p -117.37 175.36 5.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -80.76 -73.48 1.17 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 4' ' ' GLY . 92.9 p 35.39 41.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.351 . . . . 0.0 110.876 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 m -159.92 119.66 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.0 -157.86 1.03 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.445 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -86.91 115.22 4.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.4 p -41.14 135.45 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 111.088 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -125.88 173.62 8.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -121.38 -113.91 2.3 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.477 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.9 p -108.13 157.1 18.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 111.143 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.49 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 2.9 tppp? -115.37 136.49 22.73 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.701 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.49 ' HD2' ' CD ' ' A' ' 13' ' ' LYS . 53.6 Cg_endo -69.73 92.59 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -138.58 170.83 15.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.8 t -129.17 73.55 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -44.69 -23.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.3 tp -71.85 -48.07 48.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.401 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.5 m -102.41 5.18 39.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 58.81 15.73 28.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 19' ' ' CYS . 60.5 t -96.33 121.82 47.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.917 0.389 . . . . 0.0 111.156 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.99 101.74 13.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 1.2 m-85 -52.98 164.45 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 26' ' ' ARG . 20.4 t -102.99 158.19 16.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' SER . . . -37.37 -28.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.072 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 24' ' ' SER . 22.5 tpt180 -87.62 -68.45 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 26' ' ' ARG . 30.1 tp -38.98 159.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -136.17 149.83 48.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 30' ' ' ARG . 3.7 tp -41.41 -43.06 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.142 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' HIS . 63.1 mtt180 -63.16 -68.92 0.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -38.68 -28.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.46 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 73.9 t60 -77.12 -70.04 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.602 HG22 ' CE1' ' A' ' 38' ' ' HIS . 21.9 pt -45.72 -23.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -87.06 28.25 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 36' ' ' LYS . 69.5 m -131.95 129.28 40.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 35' ' ' SER . 19.8 tttt -35.49 -45.49 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -41.91 -52.52 4.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.602 ' CE1' HG22 ' A' ' 33' ' ' ILE . 17.6 t60 -74.17 -44.66 52.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.4 mm -43.48 -58.66 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -48.22 -50.85 27.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.9 tptt -55.45 -33.68 63.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.456 ' CG2' ' CD2' ' A' ' 38' ' ' HIS . 62.2 t -70.43 -36.22 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -79.47 -30.48 42.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -80.85 -51.31 8.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 42' ' ' VAL . 5.6 t -41.07 -32.05 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.1 p -124.65 117.16 49.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.47 153.67 0.66 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' GLN . 30.3 t -104.04 41.73 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.798 0.332 . . . . 0.0 110.808 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -34.66 -41.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.2 tp -85.54 101.24 12.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -107.84 172.09 7.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -73.73 173.26 10.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 54' ' ' LYS . 33.5 mt-10 -123.92 -52.4 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 53' ' ' GLU . 1.0 OUTLIER -35.51 -57.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -83.96 -60.22 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m 54.29 42.13 31.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.25 150.61 21.2 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -167.91 148.66 5.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 110.868 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.1 m -110.11 177.03 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.41 152.73 22.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.506 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.99 80.49 0.25 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.483 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 m -63.95 -59.27 4.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 111.106 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -90.39 90.47 8.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.61 106.89 0.42 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 p -94.31 109.51 21.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 111.165 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -98.79 146.93 32.49 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 96.08 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.362 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -147.25 166.16 27.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.4 t -123.86 78.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.7 t -51.78 -16.77 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 tp -78.69 -48.02 15.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.4 m -101.47 5.0 41.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 16' ' ' CYS . . . 60.79 18.69 53.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.7 t -99.8 113.8 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.22 102.16 14.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.402 ' CE1' ' CG ' ' A' ' 32' ' ' HIS . 0.4 OUTLIER -54.84 164.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.0 t -99.58 174.56 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.19 -17.38 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.069 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -98.58 -60.96 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.435 ' CD1' ' HB2' ' A' ' 31' ' ' ASP . 35.3 tp -45.34 154.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' ILE . 19.8 m -132.31 148.25 52.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 30' ' ' ARG . 5.4 tp -36.87 -45.65 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.477 ' N ' HG23 ' A' ' 29' ' ' ILE . 0.7 OUTLIER -57.13 -68.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.435 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 77.8 m-20 -35.98 -40.81 0.21 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.402 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 86.4 t60 -67.32 -70.66 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.535 ' HA ' ' CG ' ' A' ' 38' ' ' HIS . 18.4 pt -49.61 -23.19 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -88.15 29.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 36' ' ' LYS . 51.7 m -136.18 127.55 28.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -34.14 -51.03 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' LYS . 48.6 mm-40 -37.11 -54.02 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.535 ' CG ' ' HA ' ' A' ' 33' ' ' ILE . 8.9 t60 -72.98 -36.1 67.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.1 mm -51.07 -54.36 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 t -48.79 -43.05 37.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -63.64 -37.14 86.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.47 ' CG2' ' NE2' ' A' ' 38' ' ' HIS . 61.1 t -70.67 -27.14 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -84.95 -33.76 22.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -81.06 -50.17 9.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.9 t -39.95 -32.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.449 HG13 ' N ' ' A' ' 47' ' ' GLY . 5.5 p -116.46 -44.95 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.449 ' N ' HG13 ' A' ' 46' ' ' VAL . . . -39.35 130.27 2.21 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.9 p -71.19 116.56 11.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -98.01 171.62 8.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mp -118.85 84.91 2.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.58 109.25 19.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.1 ptt85 -118.6 147.71 43.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -130.11 169.24 15.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.76 157.04 44.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.2 t0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.883 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_